2-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline

C13H10N6 — CID 19583151

IUPAC2-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1cc(-c2nc3c4ccccc4ncn3n2)n[nH]1
InChIInChI=1S/C13H10N6/c1-8-6-11(17-16-8)12-15-13-9-4-2-3-5-10(9)14-7-19(13)18-12/h2-7H,1H3,(H,16,17)
InChIKeyQRTXHYUHGOJSIN-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.98
Rot. Bonds1

About 2-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline

2-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 19583151) has the molecular formula C13H10N6 and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID19583151
Molecular FormulaC13H10N6
Molecular Weight250.27 g/mol
Exact Mass250.10
IUPAC Name2-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1cc(-c2nc3c4ccccc4ncn3n2)n[nH]1
InChIInChI=1S/C13H10N6/c1-8-6-11(17-16-8)12-15-13-9-4-2-3-5-10(9)14-7-19(13)18-12/h2-7H,1H3,(H,16,17)
InChIKeyQRTXHYUHGOJSIN-UHFFFAOYSA-N
XLogP1.98
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline (CID 19583151) is 2-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline is Cc1cc(-c2nc3c4ccccc4ncn3n2)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is QRTXHYUHGOJSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6/c1-8-6-11(17-16-8)12-15-13-9-4-2-3-5-10(9)14-7-19(13)18-12/h2-7H,1H3,(H,16,17).
What are the key properties of 2-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline?
2-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 250.27 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 19583151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).