(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol

HCID 44141733

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Grundinformationen

CAS: 54535-00-1
Standard-SMILES: Cc1cc(C)n2nc(CO)nc2n1
InChIKey: SHYHYVCNCNAWHV-UHFFFAOYSA-N
Summenformel: C8H10N4O
Durchschnittliche Molmasse: 178,19 g/mol
Monoisotopische Masse: 178,08546096

Namen und Bezeichner

Bevorzugter Name: (5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol
IUPAC: (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol
Englischer Name: (5,7-dimethyl-3H-8lambda~5~-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol
Summenformel: C8H10N4O
Molmasse: 178.19

Namen und Synonyme

54535-00-1(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanolMFCD11846959{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methanol(5,7-dimethyl-3H-8lambda~5~-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanolSHYHYVCNCNAWHV-UHFFFAOYSA-NSCHEMBL1464710DTXSID20657636AKOS002683949DB-032028CS-0006543

Weitere Namen anzeigen

[1,2,4]Triazolo[1,5-a]pyrimidine-2-methanol, 5,7-dimethyl-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol(SALTDATA: FREE)

(5,7-Dimethyl-[1,2,4]triazolo-[1,5-a]pyrimidin-2-yl)methanol(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-methanol

Datenbank-Bezeichner

CAS: 54535-00-1
PubChem CID: 44141733
DTXSID: DTXSID20657636
EC Number: 639-811-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
Polarare Oberfläche (TPSA): 63,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 189

Physikochemische Eigenschaften

Dichte: 1.42 · 1.42±0.1 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 12.76 · 12.76±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.