N-methyl-N-pentyl-3-phenyl-1,2,4-triazole-1-carboxamide

C15H20N4O — CID 121338273

IUPACN-methyl-N-pentyl-3-phenyl-1,2,4-triazole-1-carboxamide
SMILESCCCCCN(C)C(=O)n1cnc(-c2ccccc2)n1
InChIInChI=1S/C15H20N4O/c1-3-4-8-11-18(2)15(20)19-12-16-14(17-19)13-9-6-5-7-10-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3
InChIKeyLGYGMHGCYRDHTH-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.04
Rot. Bonds5

About N-methyl-N-pentyl-3-phenyl-1,2,4-triazole-1-carboxamide

N-methyl-N-pentyl-3-phenyl-1,2,4-triazole-1-carboxamide (PubChem CID 121338273) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-methyl-N-pentyl-3-phenyl-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-pentyl-3-phenyl-1,2,4-triazole-1-carboxamide
PubChem CID121338273
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-methyl-N-pentyl-3-phenyl-1,2,4-triazole-1-carboxamide
SMILESCCCCCN(C)C(=O)n1cnc(-c2ccccc2)n1
InChIInChI=1S/C15H20N4O/c1-3-4-8-11-18(2)15(20)19-12-16-14(17-19)13-9-6-5-7-10-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3
InChIKeyLGYGMHGCYRDHTH-UHFFFAOYSA-N
XLogP3.04
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylbutanimidoyl 3-phenyl-1,2,4-triazole-1-carboxylate
CID 175378403
N-methyl-N-pentyl-2-phenylpropanamide
CID 90809964
benzoic acid;bis(N,N-dimethyldodecan-1-amine);hydrochloride
CID 175115715
1,2-diphenylethane-1,2-dione;N-ethyl-N-methylhexan-1-amine
CID 69013221
N-[methyl(pentyl)carbamoyl]benzamide
CID 3378648
N-butyl-N-methylbenzimidazole-1-carboxamide
CID 170699007
N,N-dimethylhexan-1-amine;1,2-diphenylethane-1,2-dione
CID 69012000
1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048818
6-[methyl(pentyl)carbamoyl]pyridine-3-carboxylic acid
CID 43452990
benzoic acid;N,N-dioctyloctan-1-amine
CID 68632101
N,N-dimethyldecan-1-amine;2-oxo-3-phenylpropanoate
CID 163981787
4-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
CID 119173060

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pentyl-3-phenyl-1,2,4-triazole-1-carboxamide?
The IUPAC name of N-methyl-N-pentyl-3-phenyl-1,2,4-triazole-1-carboxamide (CID 121338273) is N-methyl-N-pentyl-3-phenyl-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for N-methyl-N-pentyl-3-phenyl-1,2,4-triazole-1-carboxamide?
The canonical SMILES for N-methyl-N-pentyl-3-phenyl-1,2,4-triazole-1-carboxamide is CCCCCN(C)C(=O)n1cnc(-c2ccccc2)n1.
What is the InChIKey of N-methyl-N-pentyl-3-phenyl-1,2,4-triazole-1-carboxamide?
The InChIKey is LGYGMHGCYRDHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-4-8-11-18(2)15(20)19-12-16-14(17-19)13-9-6-5-7-10-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3.
What are the key properties of N-methyl-N-pentyl-3-phenyl-1,2,4-triazole-1-carboxamide?
N-methyl-N-pentyl-3-phenyl-1,2,4-triazole-1-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentyl-3-phenyl-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 121338273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).