2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C10H12N6O3 — CID 54884961

IUPAC2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCn1c(=O)ccn(CC(=O)NCc2ncn[nH]2)c1=O
InChIInChI=1S/C10H12N6O3/c1-15-9(18)2-3-16(10(15)19)5-8(17)11-4-7-12-6-13-14-7/h2-3,6H,4-5H2,1H3,(H,11,17)(H,12,13,14)
InChIKeyMRLYLHNQNTZRTM-UHFFFAOYSA-N
MW264.24 g/mol
LogP-2.02
Rot. Bonds4

About 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 54884961) has the molecular formula C10H12N6O3 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID54884961
Molecular FormulaC10H12N6O3
Molecular Weight264.24 g/mol
Exact Mass264.10
IUPAC Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCn1c(=O)ccn(CC(=O)NCc2ncn[nH]2)c1=O
InChIInChI=1S/C10H12N6O3/c1-15-9(18)2-3-16(10(15)19)5-8(17)11-4-7-12-6-13-14-7/h2-3,6H,4-5H2,1H3,(H,11,17)(H,12,13,14)
InChIKeyMRLYLHNQNTZRTM-UHFFFAOYSA-N
XLogP-2.02
TPSA114.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-2.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 54884961) is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is Cn1c(=O)ccn(CC(=O)NCc2ncn[nH]2)c1=O.
What is the InChIKey of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is MRLYLHNQNTZRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3/c1-15-9(18)2-3-16(10(15)19)5-8(17)11-4-7-12-6-13-14-7/h2-3,6H,4-5H2,1H3,(H,11,17)(H,12,13,14).
What are the key properties of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 264.24 g/mol, XLogP of -2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 54884961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).