2-methyl-5-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline

C16H13N5S — CID 4259342

IUPAC2-methyl-5-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1nc2c3ccccc3nc(SCc3ccncc3)n2n1
InChIInChI=1S/C16H13N5S/c1-11-18-15-13-4-2-3-5-14(13)19-16(21(15)20-11)22-10-12-6-8-17-9-7-12/h2-9H,10H2,1H3
InChIKeyMEUJDWDBWQKIQM-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.27
Rot. Bonds3

About 2-methyl-5-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline

2-methyl-5-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 4259342) has the molecular formula C16H13N5S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-methyl-5-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-methyl-5-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID4259342
Molecular FormulaC16H13N5S
Molecular Weight307.38 g/mol
Exact Mass307.09
IUPAC Name2-methyl-5-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1nc2c3ccccc3nc(SCc3ccncc3)n2n1
InChIInChI=1S/C16H13N5S/c1-11-18-15-13-4-2-3-5-14(13)19-16(21(15)20-11)22-10-12-6-8-17-9-7-12/h2-9H,10H2,1H3
InChIKeyMEUJDWDBWQKIQM-UHFFFAOYSA-N
XLogP3.27
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-methyl-5-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline (CID 4259342) is 2-methyl-5-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-methyl-5-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-methyl-5-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline is Cc1nc2c3ccccc3nc(SCc3ccncc3)n2n1.
What is the InChIKey of 2-methyl-5-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is MEUJDWDBWQKIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5S/c1-11-18-15-13-4-2-3-5-14(13)19-16(21(15)20-11)22-10-12-6-8-17-9-7-12/h2-9H,10H2,1H3.
What are the key properties of 2-methyl-5-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline?
2-methyl-5-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 307.38 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 4259342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).