4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)pentanamide

C9H16N4O — CID 78927699

IUPAC4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)pentanamide
SMILESCc1nc(NC(=O)CCC(C)C)n[nH]1
InChIInChI=1S/C9H16N4O/c1-6(2)4-5-8(14)11-9-10-7(3)12-13-9/h6H,4-5H2,1-3H3,(H2,10,11,12,13,14)
InChIKeyLQNHTWKXLMMERE-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.49
Rot. Bonds4

About 4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)pentanamide

4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)pentanamide (PubChem CID 78927699) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)pentanamide.

Molecular Properties

Compound Name4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)pentanamide
PubChem CID78927699
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)pentanamide
SMILESCc1nc(NC(=O)CCC(C)C)n[nH]1
InChIInChI=1S/C9H16N4O/c1-6(2)4-5-8(14)11-9-10-7(3)12-13-9/h6H,4-5H2,1-3H3,(H2,10,11,12,13,14)
InChIKeyLQNHTWKXLMMERE-UHFFFAOYSA-N
XLogP1.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)pentanamide?
The IUPAC name of 4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)pentanamide (CID 78927699) is 4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)pentanamide.
What is the SMILES notation for 4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)pentanamide?
The canonical SMILES for 4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)pentanamide is Cc1nc(NC(=O)CCC(C)C)n[nH]1.
What is the InChIKey of 4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)pentanamide?
The InChIKey is LQNHTWKXLMMERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(2)4-5-8(14)11-9-10-7(3)12-13-9/h6H,4-5H2,1-3H3,(H2,10,11,12,13,14).
What are the key properties of 4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)pentanamide?
4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)pentanamide has a molecular weight of 196.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)pentanamide is sourced from PubChem (CID 78927699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).