N-methyl-2,4-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrimidine-5-carboxamide

C9H10N6O3 — CID 64510301

IUPACN-methyl-2,4-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H10N6O3/c1-15(3-6-11-4-12-14-6)8(17)5-2-10-9(18)13-7(5)16/h2,4H,3H2,1H3,(H,11,12,14)(H2,10,13,16,18)
InChIKeyHBXBFHYPRWEJDO-UHFFFAOYSA-N
MW250.22 g/mol
LogP-1.55
Rot. Bonds3

About N-methyl-2,4-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrimidine-5-carboxamide

N-methyl-2,4-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 64510301) has the molecular formula C9H10N6O3 and a molecular weight of 250.22 g/mol. Its IUPAC name is N-methyl-2,4-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2,4-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrimidine-5-carboxamide
PubChem CID64510301
Molecular FormulaC9H10N6O3
Molecular Weight250.22 g/mol
Exact Mass250.08
IUPAC NameN-methyl-2,4-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H10N6O3/c1-15(3-6-11-4-12-14-6)8(17)5-2-10-9(18)13-7(5)16/h2,4H,3H2,1H3,(H,11,12,14)(H2,10,13,16,18)
InChIKeyHBXBFHYPRWEJDO-UHFFFAOYSA-N
XLogP-1.55
TPSA127.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-methyl-2,4-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrimidine-5-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 N-methyl-2,4-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-2,4-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrimidine-5-carboxamide (CID 64510301) is N-methyl-2,4-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-2,4-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-2,4-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrimidine-5-carboxamide is CN(Cc1ncn[nH]1)C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-methyl-2,4-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is HBXBFHYPRWEJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O3/c1-15(3-6-11-4-12-14-6)8(17)5-2-10-9(18)13-7(5)16/h2,4H,3H2,1H3,(H,11,12,14)(H2,10,13,16,18).
What are the key properties of N-methyl-2,4-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrimidine-5-carboxamide?
N-methyl-2,4-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 250.22 g/mol, XLogP of -1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,4-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 64510301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).