2-pyridin-4-yl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline

C18H11N7S — CID 24626644

IUPAC2-pyridin-4-yl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline
SMILESc1ccc2c(Sc3nc4ncccn4n3)nc(-c3ccncc3)nc2c1
InChIInChI=1S/C18H11N7S/c1-2-5-14-13(4-1)16(22-15(21-14)12-6-9-19-10-7-12)26-18-23-17-20-8-3-11-25(17)24-18/h1-11H
InChIKeyJMIKTKUTVOXROC-UHFFFAOYSA-N
MW357.40 g/mol
LogP3.28
Rot. Bonds3

About 2-pyridin-4-yl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline

2-pyridin-4-yl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline (PubChem CID 24626644) has the molecular formula C18H11N7S and a molecular weight of 357.40 g/mol. Its IUPAC name is 2-pyridin-4-yl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline.

Molecular Properties

Compound Name2-pyridin-4-yl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline
PubChem CID24626644
Molecular FormulaC18H11N7S
Molecular Weight357.40 g/mol
Exact Mass357.08
IUPAC Name2-pyridin-4-yl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline
SMILESc1ccc2c(Sc3nc4ncccn4n3)nc(-c3ccncc3)nc2c1
InChIInChI=1S/C18H11N7S/c1-2-5-14-13(4-1)16(22-15(21-14)12-6-9-19-10-7-12)26-18-23-17-20-8-3-11-25(17)24-18/h1-11H
InChIKeyJMIKTKUTVOXROC-UHFFFAOYSA-N
XLogP3.28
TPSA81.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(1-methylimidazol-2-yl)sulfanyl-2-phenylquinazoline
CID 4785528
4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridin-3-ylquinazoline
CID 26036819
2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline
CID 659763
4-piperidin-1-yl-2-pyridin-4-ylquinazoline
CID 820815
2-(3-phenylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 52544189
2-[(5-nitro-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 16618002
4-(4,4-difluoropiperidin-1-yl)-2-pyridin-4-ylquinazoline
CID 71296020
2-(2-phenylquinazolin-4-yl)sulfanyl-1,3-benzothiazole
CID 7454001
2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 155817864
2-(2-phenylquinazolin-4-yl)sulfanyl-3H-quinazolin-4-one
CID 135696924
2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 51111566
(4-pyrimidin-2-ylsulfanylquinazolin-2-yl)hydrazine
CID 80924768

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline?
The IUPAC name of 2-pyridin-4-yl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline (CID 24626644) is 2-pyridin-4-yl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline.
What is the SMILES notation for 2-pyridin-4-yl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline?
The canonical SMILES for 2-pyridin-4-yl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline is c1ccc2c(Sc3nc4ncccn4n3)nc(-c3ccncc3)nc2c1.
What is the InChIKey of 2-pyridin-4-yl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline?
The InChIKey is JMIKTKUTVOXROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N7S/c1-2-5-14-13(4-1)16(22-15(21-14)12-6-9-19-10-7-12)26-18-23-17-20-8-3-11-25(17)24-18/h1-11H.
What are the key properties of 2-pyridin-4-yl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline?
2-pyridin-4-yl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline has a molecular weight of 357.40 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline is sourced from PubChem (CID 24626644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).