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

C13H24N4O — CID 54885193

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)decanamide
SMILESCCCCCCCCCC(=O)NCc1ncn[nH]1
InChIInChI=1S/C13H24N4O/c1-2-3-4-5-6-7-8-9-13(18)14-10-12-15-11-16-17-12/h11H,2-10H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyNDSBJEUWYVRRIR-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.56
Rot. Bonds10

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

N-(1H-1,2,4-triazol-5-ylmethyl)decanamide (PubChem CID 54885193) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)decanamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)decanamide
PubChem CID54885193
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)decanamide
SMILESCCCCCCCCCC(=O)NCc1ncn[nH]1
InChIInChI=1S/C13H24N4O/c1-2-3-4-5-6-7-8-9-13(18)14-10-12-15-11-16-17-12/h11H,2-10H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyNDSBJEUWYVRRIR-UHFFFAOYSA-N
XLogP2.56
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)decanamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)decanamide (CID 54885193) is N-(1H-1,2,4-triazol-5-ylmethyl)decanamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)decanamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)decanamide is CCCCCCCCCC(=O)NCc1ncn[nH]1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)decanamide?
The InChIKey is NDSBJEUWYVRRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-2-3-4-5-6-7-8-9-13(18)14-10-12-15-11-16-17-12/h11H,2-10H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)decanamide?
N-(1H-1,2,4-triazol-5-ylmethyl)decanamide has a molecular weight of 252.36 g/mol, XLogP of 2.56, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)decanamide is sourced from PubChem (CID 54885193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).