1,5-dipentyl-1,2,4-triazole-3-carboxamide

C13H24N4O — CID 68580294

IUPAC1,5-dipentyl-1,2,4-triazole-3-carboxamide
SMILESCCCCCc1nc(C(N)=O)nn1CCCCC
InChIInChI=1S/C13H24N4O/c1-3-5-7-9-11-15-13(12(14)18)16-17(11)10-8-6-4-2/h3-10H2,1-2H3,(H2,14,18)
InChIKeyAZRFKOIILCYYKU-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.30
Rot. Bonds9

About 1,5-dipentyl-1,2,4-triazole-3-carboxamide

1,5-dipentyl-1,2,4-triazole-3-carboxamide (PubChem CID 68580294) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1,5-dipentyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dipentyl-1,2,4-triazole-3-carboxamide
PubChem CID68580294
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1,5-dipentyl-1,2,4-triazole-3-carboxamide
SMILESCCCCCc1nc(C(N)=O)nn1CCCCC
InChIInChI=1S/C13H24N4O/c1-3-5-7-9-11-15-13(12(14)18)16-17(11)10-8-6-4-2/h3-10H2,1-2H3,(H2,14,18)
InChIKeyAZRFKOIILCYYKU-UHFFFAOYSA-N
XLogP2.30
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-1-methyl-1H-1,2,4-triazole-3-carboxamide
CID 22716009
2-(3,5-diethyl-1,2,4-triazol-1-yl)-N,N-diethylacetamide
CID 71974205
N-hydroxy-2-pentyl-1,2,4-triazole-3-carboxamide
CID 155561111
1,5-dimethyl-1H-1,2,4-triazole-3-carboxamide
CID 45084121
1,3-Dimethyl-1 H-1,2,4-triazole-5-carboxamide
CID 135289779
2,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,2,4-triazole-3-carboxamide
CID 119036946
5-[(4,4-Difluorocyclohexyl)methyl]-2-ethyl-1,2,4-triazole-3-carboxamide
CID 175397162
N-hexyl-4-methyl-1,2,4-triazole-3-carboxamide
CID 162398243
N-hexyl-2-methyl-1,2,4-triazole-3-carboxamide
CID 162398462
N-(diaminomethylidene)-2,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 20591092
5-Aminomethyl-1-methyl-1h-[1,2,4]-triazole-3-carboxamide hydrochloride
CID 22716029
2-(3,5-Dimethyl-1,2,4-triazol-1-yl)acetamide
CID 60748121

Frequently Asked Questions

What is the IUPAC name of 1,5-dipentyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1,5-dipentyl-1,2,4-triazole-3-carboxamide (CID 68580294) is 1,5-dipentyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1,5-dipentyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1,5-dipentyl-1,2,4-triazole-3-carboxamide is CCCCCc1nc(C(N)=O)nn1CCCCC.
What is the InChIKey of 1,5-dipentyl-1,2,4-triazole-3-carboxamide?
The InChIKey is AZRFKOIILCYYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-5-7-9-11-15-13(12(14)18)16-17(11)10-8-6-4-2/h3-10H2,1-2H3,(H2,14,18).
What are the key properties of 1,5-dipentyl-1,2,4-triazole-3-carboxamide?
1,5-dipentyl-1,2,4-triazole-3-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dipentyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 68580294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).