Pyrazolo(1,5-a)pyrimidine

HCID 11636795

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Basic information

CAS: 274-71-5
Standard SMILES: c1cnc2ccnn2c1
InChIKey: LDIJKUBTLZTFRG-UHFFFAOYSA-N
Molecular formula: C6H5N3
Average molar mass: 119.12 g/mol
Monoisotopic mass: 119.04834716

Overview

structure in first source

Names & identifiers

Preferred name: Pyrazolo(1,5-a)pyrimidine
IUPAC: pyrazolo[1,5-a]pyrimidine
English name: Pyrazolo[1,5-a]pyrimidine
Molecular formula: C6H5N3
Molecular weight: 119.12

Names & synonyms

Pyrazolo[1,5-a]pyrimidine274-71-5pyrazolo(1,5-a)pyrimidineNX2KR7M4A4DTXSID70469781RefChem:177464pyrazolo(1,5a)pyrimidineCHEBI:38669DTXCID70420599800-903-7PyrazolopyrimidinePyrazolo[2,3-a]pyrimidine

Show more names

Pyrazolo[1,5-a]pyrimidine (8CI, 9CI, ACI)

MFCD106995801,4,7a-TriazaindeneCHEMBL3246696UNII-NX2KR7M4A4pyrazolo [1,5-a]pyrimidineSCHEMBL19173AMY15757SCHEMBL174872

Database identifiers

CAS: 274-71-5
PubChem CID: 11636795
DTXSID: DTXSID70469781
ChEMBL: CHEMBL2036808、CHEMBL3246696
UNII: NX2KR7M4A4
EC Number: 800-903-7
Nikkaji: J3.453.296F

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 30.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 104

Physicochemical properties

Melting point: 105 °C · 105 °C
Density: 1.29 · 1.29±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 0.33 · 0.33±0.30(Predicted)
Appearance: White to off-white Solid
FDA UNII: 2 KR7M4A4 · NX2KR7M4A4
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Risk Statements: 20 · 20/21/22
Safety Statements: 36 · 36/37
HS Code: 29335990 · 29335990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.