2-methyl-N-(1,2,4-triazin-5-yl)propanamide

C7H10N4O — CID 130718007

IUPAC2-methyl-N-(1,2,4-triazin-5-yl)propanamide
SMILESCC(C)C(=O)Nc1cnncn1
InChIInChI=1S/C7H10N4O/c1-5(2)7(12)11-6-3-9-10-4-8-6/h3-5H,1-2H3,(H,8,10,11,12)
InChIKeyZDPJVOYBQGCQJO-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.47
Rot. Bonds2

About 2-methyl-N-(1,2,4-triazin-5-yl)propanamide

2-methyl-N-(1,2,4-triazin-5-yl)propanamide (PubChem CID 130718007) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-methyl-N-(1,2,4-triazin-5-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(1,2,4-triazin-5-yl)propanamide
PubChem CID130718007
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name2-methyl-N-(1,2,4-triazin-5-yl)propanamide
SMILESCC(C)C(=O)Nc1cnncn1
InChIInChI=1S/C7H10N4O/c1-5(2)7(12)11-6-3-9-10-4-8-6/h3-5H,1-2H3,(H,8,10,11,12)
InChIKeyZDPJVOYBQGCQJO-UHFFFAOYSA-N
XLogP0.47
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2,4-triazin-5-yl)propanamide?
The IUPAC name of 2-methyl-N-(1,2,4-triazin-5-yl)propanamide (CID 130718007) is 2-methyl-N-(1,2,4-triazin-5-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(1,2,4-triazin-5-yl)propanamide?
The canonical SMILES for 2-methyl-N-(1,2,4-triazin-5-yl)propanamide is CC(C)C(=O)Nc1cnncn1.
What is the InChIKey of 2-methyl-N-(1,2,4-triazin-5-yl)propanamide?
The InChIKey is ZDPJVOYBQGCQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-5(2)7(12)11-6-3-9-10-4-8-6/h3-5H,1-2H3,(H,8,10,11,12).
What are the key properties of 2-methyl-N-(1,2,4-triazin-5-yl)propanamide?
2-methyl-N-(1,2,4-triazin-5-yl)propanamide has a molecular weight of 166.18 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2,4-triazin-5-yl)propanamide is sourced from PubChem (CID 130718007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).