2-(5-fluoro-6-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-c]quinazoline

C15H10FN5 — CID 175889891

IUPAC2-(5-fluoro-6-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1ncc(-c2nc3c4ccccc4ncn3n2)cc1F
InChIInChI=1S/C15H10FN5/c1-9-12(16)6-10(7-17-9)14-19-15-11-4-2-3-5-13(11)18-8-21(15)20-14/h2-8H,1H3
InChIKeyKNZBXZHVKZHHBV-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.79
Rot. Bonds1

About 2-(5-fluoro-6-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-c]quinazoline

2-(5-fluoro-6-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 175889891) has the molecular formula C15H10FN5 and a molecular weight of 279.28 g/mol. Its IUPAC name is 2-(5-fluoro-6-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-(5-fluoro-6-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID175889891
Molecular FormulaC15H10FN5
Molecular Weight279.28 g/mol
Exact Mass279.09
IUPAC Name2-(5-fluoro-6-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1ncc(-c2nc3c4ccccc4ncn3n2)cc1F
InChIInChI=1S/C15H10FN5/c1-9-12(16)6-10(7-17-9)14-19-15-11-4-2-3-5-13(11)18-8-21(15)20-14/h2-8H,1H3
InChIKeyKNZBXZHVKZHHBV-UHFFFAOYSA-N
XLogP2.79
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-6-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-(5-fluoro-6-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-c]quinazoline (CID 175889891) is 2-(5-fluoro-6-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-(5-fluoro-6-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-(5-fluoro-6-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-c]quinazoline is Cc1ncc(-c2nc3c4ccccc4ncn3n2)cc1F.
What is the InChIKey of 2-(5-fluoro-6-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is KNZBXZHVKZHHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5/c1-9-12(16)6-10(7-17-9)14-19-15-11-4-2-3-5-13(11)18-8-21(15)20-14/h2-8H,1H3.
What are the key properties of 2-(5-fluoro-6-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-c]quinazoline?
2-(5-fluoro-6-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 279.28 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-6-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 175889891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).