3-heptanoyl-1H-1,2,4-triazole-5-carboxamide

C10H16N4O2 — CID 86734455

IUPAC3-heptanoyl-1H-1,2,4-triazole-5-carboxamide
SMILESCCCCCCC(=O)c1n[nH]c(C(N)=O)n1
InChIInChI=1S/C10H16N4O2/c1-2-3-4-5-6-7(15)9-12-10(8(11)16)14-13-9/h2-6H2,1H3,(H2,11,16)(H,12,13,14)
InChIKeyBLOYMAAYFKYEDF-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.06
Rot. Bonds7

About 3-heptanoyl-1H-1,2,4-triazole-5-carboxamide

3-heptanoyl-1H-1,2,4-triazole-5-carboxamide (PubChem CID 86734455) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-heptanoyl-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-heptanoyl-1H-1,2,4-triazole-5-carboxamide
PubChem CID86734455
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-heptanoyl-1H-1,2,4-triazole-5-carboxamide
SMILESCCCCCCC(=O)c1n[nH]c(C(N)=O)n1
InChIInChI=1S/C10H16N4O2/c1-2-3-4-5-6-7(15)9-12-10(8(11)16)14-13-9/h2-6H2,1H3,(H2,11,16)(H,12,13,14)
InChIKeyBLOYMAAYFKYEDF-UHFFFAOYSA-N
XLogP1.06
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-heptanoyl-1H-1,2,4-triazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
2,3-di(octadecanoyl)benzene-1,4-dicarboxamide
CID 174445942
1-(5-amino-1H-pyrazol-4-yl)heptan-1-one
CID 65360495
1-(5-amino-1H-pyrazol-4-yl)nonan-1-one
CID 65360544
octadecanamide;hydrochloride
CID 87891779
octadecanamide;zinc
CID 87169213
butane;octanamide
CID 87511414
CID 10875803
CID 10875803
ethanol;tridecanamide
CID 174935457
N-(4-amino-5-methyl-1H-pyrazol-3-yl)heptanamide
CID 114752029

Frequently Asked Questions

What is the IUPAC name of 3-heptanoyl-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-heptanoyl-1H-1,2,4-triazole-5-carboxamide (CID 86734455) is 3-heptanoyl-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-heptanoyl-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-heptanoyl-1H-1,2,4-triazole-5-carboxamide is CCCCCCC(=O)c1n[nH]c(C(N)=O)n1.
What is the InChIKey of 3-heptanoyl-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is BLOYMAAYFKYEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-2-3-4-5-6-7(15)9-12-10(8(11)16)14-13-9/h2-6H2,1H3,(H2,11,16)(H,12,13,14).
What are the key properties of 3-heptanoyl-1H-1,2,4-triazole-5-carboxamide?
3-heptanoyl-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptanoyl-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 86734455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).