2-methyl-3-(1,2,4-triazol-4-yl)quinazolin-4-one

C11H9N5O — CID 3235693

IUPAC2-methyl-3-(1,2,4-triazol-4-yl)quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-n1cnnc1
InChIInChI=1S/C11H9N5O/c1-8-14-10-5-3-2-4-9(10)11(17)16(8)15-6-12-13-7-15/h2-7H,1H3
InChIKeyUFYJLCSYOWHCRA-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.61
Rot. Bonds1

About 2-methyl-3-(1,2,4-triazol-4-yl)quinazolin-4-one

2-methyl-3-(1,2,4-triazol-4-yl)quinazolin-4-one (PubChem CID 3235693) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-methyl-3-(1,2,4-triazol-4-yl)quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-(1,2,4-triazol-4-yl)quinazolin-4-one
PubChem CID3235693
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name2-methyl-3-(1,2,4-triazol-4-yl)quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-n1cnnc1
InChIInChI=1S/C11H9N5O/c1-8-14-10-5-3-2-4-9(10)11(17)16(8)15-6-12-13-7-15/h2-7H,1H3
InChIKeyUFYJLCSYOWHCRA-UHFFFAOYSA-N
XLogP0.61
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1H-quinazolin-4-one
CID 135490744
2-methyl-3-(1H-tetrazol-5-yl)-4(3H)-quinazolinone
CID 13267903
2-ethyl-3-(2H-tetrazol-5-yl)quinazolin-4-one
CID 13676793
3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one
CID 13676796
3-(1,2,4-Triazol-4-yl)quinazolin-4-one
CID 13676800
4-(4-oxoquinazolin-3(4H)-yl)-N-(4H-1,2,4-triazol-3-yl)butanamide
CID 33511236
3-[(1-Cyclopropyltetrazol-5-yl)methyl]-2-methylquinazolin-4-one
CID 45807492
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methyl-3-(4-oxo-3(4H)-quinazolinyl)propanamide
CID 70721495
N-tert-butyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 72103967
N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 72103975
3-(4-hydroxyquinazolin-2-yl)-N-(1H-1,2,4-triazol-3-yl)propanamide
CID 135637146
1-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2,4-triazole-3-carbonitrile
CID 135869220

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,2,4-triazol-4-yl)quinazolin-4-one?
The IUPAC name of 2-methyl-3-(1,2,4-triazol-4-yl)quinazolin-4-one (CID 3235693) is 2-methyl-3-(1,2,4-triazol-4-yl)quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-(1,2,4-triazol-4-yl)quinazolin-4-one?
The canonical SMILES for 2-methyl-3-(1,2,4-triazol-4-yl)quinazolin-4-one is Cc1nc2ccccc2c(=O)n1-n1cnnc1.
What is the InChIKey of 2-methyl-3-(1,2,4-triazol-4-yl)quinazolin-4-one?
The InChIKey is UFYJLCSYOWHCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c1-8-14-10-5-3-2-4-9(10)11(17)16(8)15-6-12-13-7-15/h2-7H,1H3.
What are the key properties of 2-methyl-3-(1,2,4-triazol-4-yl)quinazolin-4-one?
2-methyl-3-(1,2,4-triazol-4-yl)quinazolin-4-one has a molecular weight of 227.23 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1,2,4-triazol-4-yl)quinazolin-4-one is sourced from PubChem (CID 3235693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).