N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C10H12N6O3 — CID 64512740

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1nc(CN(C)C(=O)c2cc(=O)[nH]c(=O)[nH]2)n[nH]1
InChIInChI=1S/C10H12N6O3/c1-5-11-7(15-14-5)4-16(2)9(18)6-3-8(17)13-10(19)12-6/h3H,4H2,1-2H3,(H,11,14,15)(H2,12,13,17,19)
InChIKeyKEUBFLOYFGIHLS-UHFFFAOYSA-N
MW264.25 g/mol
LogP-1.24
Rot. Bonds3

About N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 64512740) has the molecular formula C10H12N6O3 and a molecular weight of 264.25 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID64512740
Molecular FormulaC10H12N6O3
Molecular Weight264.25 g/mol
Exact Mass264.10
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1nc(CN(C)C(=O)c2cc(=O)[nH]c(=O)[nH]2)n[nH]1
InChIInChI=1S/C10H12N6O3/c1-5-11-7(15-14-5)4-16(2)9(18)6-3-8(17)13-10(19)12-6/h3H,4H2,1-2H3,(H,11,14,15)(H2,12,13,17,19)
InChIKeyKEUBFLOYFGIHLS-UHFFFAOYSA-N
XLogP-1.24
TPSA127.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 64512740) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is Cc1nc(CN(C)C(=O)c2cc(=O)[nH]c(=O)[nH]2)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is KEUBFLOYFGIHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3/c1-5-11-7(15-14-5)4-16(2)9(18)6-3-8(17)13-10(19)12-6/h3H,4H2,1-2H3,(H,11,14,15)(H2,12,13,17,19).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 264.25 g/mol, XLogP of -1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 64512740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).