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

C6H10N4O — CID 13098083

IUPAC2-methyl-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCC(C)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C6H10N4O/c1-4(2)5(11)9-6-7-3-8-10-6/h3-4H,1-2H3,(H2,7,8,9,10,11)
InChIKeyCDXFENLTQUWFEK-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.40
Rot. Bonds2

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

2-methyl-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 13098083) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-methyl-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID13098083
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name2-methyl-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCC(C)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C6H10N4O/c1-4(2)5(11)9-6-7-3-8-10-6/h3-4H,1-2H3,(H2,7,8,9,10,11)
InChIKeyCDXFENLTQUWFEK-UHFFFAOYSA-N
XLogP0.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.40
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-yl)propanamide?
The IUPAC name of 2-methyl-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 13098083) is 2-methyl-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 2-methyl-N-(1H-1,2,4-triazol-5-yl)propanamide is CC(C)C(=O)Nc1ncn[nH]1.
What is the InChIKey of 2-methyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is CDXFENLTQUWFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-4(2)5(11)9-6-7-3-8-10-6/h3-4H,1-2H3,(H2,7,8,9,10,11).
What are the key properties of 2-methyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
2-methyl-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 154.17 g/mol, XLogP of 0.40, 2 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-yl)propanamide is sourced from PubChem (CID 13098083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).