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

C11H14N6O3 — CID 64546219

IUPAC2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCn1c(=O)ccn(CC(=O)NCCc2ncn[nH]2)c1=O
InChIInChI=1S/C11H14N6O3/c1-16-10(19)3-5-17(11(16)20)6-9(18)12-4-2-8-13-7-14-15-8/h3,5,7H,2,4,6H2,1H3,(H,12,18)(H,13,14,15)
InChIKeyGOKVLLCEIDQSJG-UHFFFAOYSA-N
MW278.27 g/mol
LogP-1.98
Rot. Bonds5

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

2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 64546219) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID64546219
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCn1c(=O)ccn(CC(=O)NCCc2ncn[nH]2)c1=O
InChIInChI=1S/C11H14N6O3/c1-16-10(19)3-5-17(11(16)20)6-9(18)12-4-2-8-13-7-14-15-8/h3,5,7H,2,4,6H2,1H3,(H,12,18)(H,13,14,15)
InChIKeyGOKVLLCEIDQSJG-UHFFFAOYSA-N
XLogP-1.98
TPSA114.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-1.98
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-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 64546219) is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is Cn1c(=O)ccn(CC(=O)NCCc2ncn[nH]2)c1=O.
What is the InChIKey of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is GOKVLLCEIDQSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-16-10(19)3-5-17(11(16)20)6-9(18)12-4-2-8-13-7-14-15-8/h3,5,7H,2,4,6H2,1H3,(H,12,18)(H,13,14,15).
What are the key properties of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide has a molecular weight of 278.27 g/mol, XLogP of -1.98, 5 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-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 64546219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).