6-methyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline

C17H14N6S — CID 133426925

IUPAC6-methyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline
SMILESCc1ccc2ncnc(Sc3nnc(-c4ccncc4)n3C)c2c1
InChIInChI=1S/C17H14N6S/c1-11-3-4-14-13(9-11)16(20-10-19-14)24-17-22-21-15(23(17)2)12-5-7-18-8-6-12/h3-10H,1-2H3
InChIKeyVSLSTSQQYONPOI-UHFFFAOYSA-N
MW334.41 g/mol
LogP3.28
Rot. Bonds3

About 6-methyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline

6-methyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline (PubChem CID 133426925) has the molecular formula C17H14N6S and a molecular weight of 334.41 g/mol. Its IUPAC name is 6-methyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline.

Molecular Properties

Compound Name6-methyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline
PubChem CID133426925
Molecular FormulaC17H14N6S
Molecular Weight334.41 g/mol
Exact Mass334.10
IUPAC Name6-methyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline
SMILESCc1ccc2ncnc(Sc3nnc(-c4ccncc4)n3C)c2c1
InChIInChI=1S/C17H14N6S/c1-11-3-4-14-13(9-11)16(20-10-19-14)24-17-22-21-15(23(17)2)12-5-7-18-8-6-12/h3-10H,1-2H3
InChIKeyVSLSTSQQYONPOI-UHFFFAOYSA-N
XLogP3.28
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-methyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline with MolForge

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

Launch Full Analysis

Related Compounds

6-methyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline
CID 133426911
4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline
CID 133427019
4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylquinazoline
CID 133426978
6-methyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline
CID 133426595
3-methyl-2-(6-methylquinazolin-4-yl)sulfanylquinazolin-4-one
CID 133427777
4-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-6-fluoroquinazoline
CID 133427112
4-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline
CID 133444072
7-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
CID 133426922
4-[[4-(4-ethoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline
CID 133443952
3,5,6-trimethyl-2-(6-methylquinazolin-4-yl)sulfanylthieno[2,3-d]pyrimidin-4-one
CID 133425474
7-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
CID 133427537
4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)quinazoline
CID 24566166

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline?
The IUPAC name of 6-methyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline (CID 133426925) is 6-methyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline.
What is the SMILES notation for 6-methyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline?
The canonical SMILES for 6-methyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline is Cc1ccc2ncnc(Sc3nnc(-c4ccncc4)n3C)c2c1.
What is the InChIKey of 6-methyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline?
The InChIKey is VSLSTSQQYONPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6S/c1-11-3-4-14-13(9-11)16(20-10-19-14)24-17-22-21-15(23(17)2)12-5-7-18-8-6-12/h3-10H,1-2H3.
What are the key properties of 6-methyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline?
6-methyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline has a molecular weight of 334.41 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline is sourced from PubChem (CID 133426925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).