4-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexane-1-carboxamide

C16H28N4O — CID 64547266

IUPAC4-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCCCc2ncn[nH]2)CC1
InChIInChI=1S/C16H28N4O/c1-2-3-5-13-7-9-14(10-8-13)16(21)17-11-4-6-15-18-12-19-20-15/h12-14H,2-11H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyGCCDZUPNQASBLB-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.85
Rot. Bonds8

About 4-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexane-1-carboxamide

4-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexane-1-carboxamide (PubChem CID 64547266) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexane-1-carboxamide
PubChem CID64547266
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCCCc2ncn[nH]2)CC1
InChIInChI=1S/C16H28N4O/c1-2-3-5-13-7-9-14(10-8-13)16(21)17-11-4-6-15-18-12-19-20-15/h12-14H,2-11H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyGCCDZUPNQASBLB-UHFFFAOYSA-N
XLogP2.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.85
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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Related Compounds

4-butyl-N-[2-(1H-imidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 115649554
5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide
CID 114826327
1-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide
CID 64547042
2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide
CID 79758881
(2R)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide
CID 103850296
4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide
CID 107848338
2-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoylamino]propanoic acid
CID 64532353
cis-(1R,3S)-3-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106319787
3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 71980106
4-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2-carboxamide
CID 114429118
N-[(4-tert-butylcyclohexyl)methyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 104575127
2,3-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 64547511

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexane-1-carboxamide (CID 64547266) is 4-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NCCCc2ncn[nH]2)CC1.
What is the InChIKey of 4-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexane-1-carboxamide?
The InChIKey is GCCDZUPNQASBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-2-3-5-13-7-9-14(10-8-13)16(21)17-11-4-6-15-18-12-19-20-15/h12-14H,2-11H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of 4-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexane-1-carboxamide?
4-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexane-1-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64547266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).