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

C22H16N6S — CID 133426911

IUPAC6-methyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline
SMILESCc1ccc2ncnc(Sc3nnc(-c4ccncc4)n3-c3ccccc3)c2c1
InChIInChI=1S/C22H16N6S/c1-15-7-8-19-18(13-15)21(25-14-24-19)29-22-27-26-20(16-9-11-23-12-10-16)28(22)17-5-3-2-4-6-17/h2-14H,1H3
InChIKeyVBSUQRBXGQKEEF-UHFFFAOYSA-N
MW396.48 g/mol
LogP4.73
Rot. Bonds4

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

6-methyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline (PubChem CID 133426911) has the molecular formula C22H16N6S and a molecular weight of 396.48 g/mol. Its IUPAC name is 6-methyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline.

Molecular Properties

Compound Name6-methyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline
PubChem CID133426911
Molecular FormulaC22H16N6S
Molecular Weight396.48 g/mol
Exact Mass396.12
IUPAC Name6-methyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline
SMILESCc1ccc2ncnc(Sc3nnc(-c4ccncc4)n3-c3ccccc3)c2c1
InChIInChI=1S/C22H16N6S/c1-15-7-8-19-18(13-15)21(25-14-24-19)29-22-27-26-20(16-9-11-23-12-10-16)28(22)17-5-3-2-4-6-17/h2-14H,1H3
InChIKeyVBSUQRBXGQKEEF-UHFFFAOYSA-N
XLogP4.73
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-methyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline
CID 133426925
4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylquinazoline
CID 133426978
4-[[4-(4-ethoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline
CID 133443952
4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline
CID 133427019
4-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-6-fluoroquinazoline
CID 133427112
4-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]quinazoline
CID 24661854
4-[5-[2-(3-methylphenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
CID 16569095
(1S)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanol
CID 51927861
4-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
CID 155949935
4-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine
CID 758286
4-[4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 1418425
4-ethyl-5-fluoro-6-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine
CID 133434086

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline?
The IUPAC name of 6-methyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline (CID 133426911) is 6-methyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline.
What is the SMILES notation for 6-methyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline?
The canonical SMILES for 6-methyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline is Cc1ccc2ncnc(Sc3nnc(-c4ccncc4)n3-c3ccccc3)c2c1.
What is the InChIKey of 6-methyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline?
The InChIKey is VBSUQRBXGQKEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6S/c1-15-7-8-19-18(13-15)21(25-14-24-19)29-22-27-26-20(16-9-11-23-12-10-16)28(22)17-5-3-2-4-6-17/h2-14H,1H3.
What are the key properties of 6-methyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline?
6-methyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline has a molecular weight of 396.48 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline is sourced from PubChem (CID 133426911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).