5-(2-methylpropylsulfanyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazoline

C18H17N5S — CID 16585535

IUPAC5-(2-methylpropylsulfanyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCC(C)CSc1nc2ccccc2c2nc(-c3ccncc3)nn12
InChIInChI=1S/C18H17N5S/c1-12(2)11-24-18-20-15-6-4-3-5-14(15)17-21-16(22-23(17)18)13-7-9-19-10-8-13/h3-10,12H,11H2,1-2H3
InChIKeyWQHVMBKZGSAROS-UHFFFAOYSA-N
MW335.44 g/mol
LogP4.09
Rot. Bonds4

About 5-(2-methylpropylsulfanyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazoline

5-(2-methylpropylsulfanyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 16585535) has the molecular formula C18H17N5S and a molecular weight of 335.44 g/mol. Its IUPAC name is 5-(2-methylpropylsulfanyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name5-(2-methylpropylsulfanyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID16585535
Molecular FormulaC18H17N5S
Molecular Weight335.44 g/mol
Exact Mass335.12
IUPAC Name5-(2-methylpropylsulfanyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCC(C)CSc1nc2ccccc2c2nc(-c3ccncc3)nn12
InChIInChI=1S/C18H17N5S/c1-12(2)11-24-18-20-15-6-4-3-5-14(15)17-21-16(22-23(17)18)13-7-9-19-10-8-13/h3-10,12H,11H2,1-2H3
InChIKeyWQHVMBKZGSAROS-UHFFFAOYSA-N
XLogP4.09
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(2-methylpropylsulfanyl)-2-pyridin-4-yl-[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

Related Compounds

3-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanenitrile
CID 17168771
5-[(2-chlorophenyl)methylsulfanyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 16585526
5-(2-piperidin-1-ylethylsulfanyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 16584668
1-(4-methoxyphenyl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone
CID 16585536
5-[(4-fluorophenyl)methylsulfanyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 4087598
1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone
CID 43864559
N-(3-propan-2-yloxypropyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880354
5-[(4-chlorophenyl)methylsulfanyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 16585516
2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3511067
5-(2-piperidin-1-ylethylsulfanyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 16585517
N-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880342
2-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetonitrile
CID 16584683

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropylsulfanyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 5-(2-methylpropylsulfanyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazoline (CID 16585535) is 5-(2-methylpropylsulfanyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 5-(2-methylpropylsulfanyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 5-(2-methylpropylsulfanyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazoline is CC(C)CSc1nc2ccccc2c2nc(-c3ccncc3)nn12.
What is the InChIKey of 5-(2-methylpropylsulfanyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is WQHVMBKZGSAROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5S/c1-12(2)11-24-18-20-15-6-4-3-5-14(15)17-21-16(22-23(17)18)13-7-9-19-10-8-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 5-(2-methylpropylsulfanyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazoline?
5-(2-methylpropylsulfanyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 335.44 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropylsulfanyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 16585535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).