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

C9H16N4O — CID 60983320

IUPAC2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide
SMILESCCCC(C)C(=O)NCc1ncn[nH]1
InChIInChI=1S/C9H16N4O/c1-3-4-7(2)9(14)10-5-8-11-6-12-13-8/h6-7H,3-5H2,1-2H3,(H,10,14)(H,11,12,13)
InChIKeyARUIRWRCODWIHF-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.86
Rot. Bonds5

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

2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide (PubChem CID 60983320) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide
PubChem CID60983320
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide
SMILESCCCC(C)C(=O)NCc1ncn[nH]1
InChIInChI=1S/C9H16N4O/c1-3-4-7(2)9(14)10-5-8-11-6-12-13-8/h6-7H,3-5H2,1-2H3,(H,10,14)(H,11,12,13)
InChIKeyARUIRWRCODWIHF-UHFFFAOYSA-N
XLogP0.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.86
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)pentanamide?
The IUPAC name of 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide (CID 60983320) is 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide.
What is the SMILES notation for 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide?
The canonical SMILES for 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide is CCCC(C)C(=O)NCc1ncn[nH]1.
What is the InChIKey of 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide?
The InChIKey is ARUIRWRCODWIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-4-7(2)9(14)10-5-8-11-6-12-13-8/h6-7H,3-5H2,1-2H3,(H,10,14)(H,11,12,13).
What are the key properties of 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide?
2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide has a molecular weight of 196.25 g/mol, XLogP of 0.86, 5 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)pentanamide is sourced from PubChem (CID 60983320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).