2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

C7H12N4O — CID 58326774

IUPAC2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCC(C)C(=O)NCc1ncn[nH]1
InChIInChI=1S/C7H12N4O/c1-5(2)7(12)8-3-6-9-4-10-11-6/h4-5H,3H2,1-2H3,(H,8,12)(H,9,10,11)
InChIKeyASDPUNKMURRYGS-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.08
Rot. Bonds3

About 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 58326774) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID58326774
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCC(C)C(=O)NCc1ncn[nH]1
InChIInChI=1S/C7H12N4O/c1-5(2)7(12)8-3-6-9-4-10-11-6/h4-5H,3H2,1-2H3,(H,8,12)(H,9,10,11)
InChIKeyASDPUNKMURRYGS-UHFFFAOYSA-N
XLogP0.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 58326774) is 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is CC(C)C(=O)NCc1ncn[nH]1.
What is the InChIKey of 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is ASDPUNKMURRYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5(2)7(12)8-3-6-9-4-10-11-6/h4-5H,3H2,1-2H3,(H,8,12)(H,9,10,11).
What are the key properties of 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 168.20 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 58326774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).