5-hydroxy-1-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-6-oxopyrimidine-4-carboxamide

C9H10N6O3 — CID 70016095

IUPAC5-hydroxy-1-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-6-oxopyrimidine-4-carboxamide
SMILESCc1ncn(-c2nc(C(N)=O)c(O)c(=O)n2C)n1
InChIInChI=1S/C9H10N6O3/c1-4-11-3-15(13-4)9-12-5(7(10)17)6(16)8(18)14(9)2/h3,16H,1-2H3,(H2,10,17)
InChIKeyUOMLTPCVTMGSPM-UHFFFAOYSA-N
MW250.22 g/mol
LogP-1.53
Rot. Bonds2

About 5-hydroxy-1-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-6-oxopyrimidine-4-carboxamide

5-hydroxy-1-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 70016095) has the molecular formula C9H10N6O3 and a molecular weight of 250.22 g/mol. Its IUPAC name is 5-hydroxy-1-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-1-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-6-oxopyrimidine-4-carboxamide
PubChem CID70016095
Molecular FormulaC9H10N6O3
Molecular Weight250.22 g/mol
Exact Mass250.08
IUPAC Name5-hydroxy-1-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-6-oxopyrimidine-4-carboxamide
SMILESCc1ncn(-c2nc(C(N)=O)c(O)c(=O)n2C)n1
InChIInChI=1S/C9H10N6O3/c1-4-11-3-15(13-4)9-12-5(7(10)17)6(16)8(18)14(9)2/h3,16H,1-2H3,(H2,10,17)
InChIKeyUOMLTPCVTMGSPM-UHFFFAOYSA-N
XLogP-1.53
TPSA128.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-hydroxy-1-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-6-oxopyrimidine-4-carboxamide 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 5-hydroxy-1-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-6-oxopyrimidine-4-carboxamide?
The IUPAC name of 5-hydroxy-1-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-6-oxopyrimidine-4-carboxamide (CID 70016095) is 5-hydroxy-1-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-1-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for 5-hydroxy-1-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-6-oxopyrimidine-4-carboxamide is Cc1ncn(-c2nc(C(N)=O)c(O)c(=O)n2C)n1.
What is the InChIKey of 5-hydroxy-1-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-6-oxopyrimidine-4-carboxamide?
The InChIKey is UOMLTPCVTMGSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O3/c1-4-11-3-15(13-4)9-12-5(7(10)17)6(16)8(18)14(9)2/h3,16H,1-2H3,(H2,10,17).
What are the key properties of 5-hydroxy-1-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-6-oxopyrimidine-4-carboxamide?
5-hydroxy-1-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 250.22 g/mol, XLogP of -1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 70016095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).