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

HCID 44141733

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 54535-00-1
표준 SMILES: Cc1cc(C)n2nc(CO)nc2n1
InChIKey: SHYHYVCNCNAWHV-UHFFFAOYSA-N
분자식: C8H10N4O
평균 분자량: 178.19 g/mol
단동위원소 질량: 178.08546096

이름 및 식별자

우선 이름: (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
영어명: (5,7-dimethyl-3H-8lambda~5~-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol
분자식: C8H10N4O
분자량: 178.19

이름 및 동의어

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

이름 더 보기

[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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 189

물리화학적 성질

밀도: 1.42 · 1.42±0.1 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 12.76 · 12.76±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

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.