3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide

C11H14N6O3 — CID 78927873

IUPAC3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCc1nc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)n[nH]1
InChIInChI=1S/C11H14N6O3/c1-5-7(9(19)15-11(20)12-5)3-4-8(18)14-10-13-6(2)16-17-10/h3-4H2,1-2H3,(H2,12,15,19,20)(H2,13,14,16,17,18)
InChIKeyWQLBXUVQFDPJFM-UHFFFAOYSA-N
MW278.27 g/mol
LogP-0.63
Rot. Bonds4

About 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide

3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 78927873) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID78927873
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCc1nc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)n[nH]1
InChIInChI=1S/C11H14N6O3/c1-5-7(9(19)15-11(20)12-5)3-4-8(18)14-10-13-6(2)16-17-10/h3-4H2,1-2H3,(H2,12,15,19,20)(H2,13,14,16,17,18)
InChIKeyWQLBXUVQFDPJFM-UHFFFAOYSA-N
XLogP-0.63
TPSA136.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide (CID 78927873) is 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide is Cc1nc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)n[nH]1.
What is the InChIKey of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is WQLBXUVQFDPJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-5-7(9(19)15-11(20)12-5)3-4-8(18)14-10-13-6(2)16-17-10/h3-4H2,1-2H3,(H2,12,15,19,20)(H2,13,14,16,17,18).
What are the key properties of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 278.27 g/mol, XLogP of -0.63, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 78927873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).