2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinazoline

C14H8ClN5S — CID 62849821

IUPAC2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinazoline
SMILESClc1nc(Sc2nnc3ccccn23)c2ccccc2n1
InChIInChI=1S/C14H8ClN5S/c15-13-16-10-6-2-1-5-9(10)12(17-13)21-14-19-18-11-7-3-4-8-20(11)14/h1-8H
InChIKeyVNZFJDIDMZUMEW-UHFFFAOYSA-N
MW313.77 g/mol
LogP3.48
Rot. Bonds2

About 2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinazoline

2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinazoline (PubChem CID 62849821) has the molecular formula C14H8ClN5S and a molecular weight of 313.77 g/mol. Its IUPAC name is 2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinazoline.

Molecular Properties

Compound Name2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinazoline
PubChem CID62849821
Molecular FormulaC14H8ClN5S
Molecular Weight313.77 g/mol
Exact Mass313.02
IUPAC Name2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinazoline
SMILESClc1nc(Sc2nnc3ccccn23)c2ccccc2n1
InChIInChI=1S/C14H8ClN5S/c15-13-16-10-6-2-1-5-9(10)12(17-13)21-14-19-18-11-7-3-4-8-20(11)14/h1-8H
InChIKeyVNZFJDIDMZUMEW-UHFFFAOYSA-N
XLogP3.48
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinazoline?
The IUPAC name of 2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinazoline (CID 62849821) is 2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinazoline.
What is the SMILES notation for 2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinazoline?
The canonical SMILES for 2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinazoline is Clc1nc(Sc2nnc3ccccn23)c2ccccc2n1.
What is the InChIKey of 2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinazoline?
The InChIKey is VNZFJDIDMZUMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN5S/c15-13-16-10-6-2-1-5-9(10)12(17-13)21-14-19-18-11-7-3-4-8-20(11)14/h1-8H.
What are the key properties of 2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinazoline?
2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinazoline has a molecular weight of 313.77 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinazoline is sourced from PubChem (CID 62849821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).