1-cyclohexyl-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide

C17H23N5O2 — CID 42197797

IUPAC1-cyclohexyl-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide
SMILESO=C(NCCCOc1cccnc1)c1cn(C2CCCCC2)nn1
InChIInChI=1S/C17H23N5O2/c23-17(19-10-5-11-24-15-8-4-9-18-12-15)16-13-22(21-20-16)14-6-2-1-3-7-14/h4,8-9,12-14H,1-3,5-7,10-11H2,(H,19,23)
InChIKeyJKPFYCHKGLSROE-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.38
Rot. Bonds7

About 1-cyclohexyl-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide

1-cyclohexyl-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide (PubChem CID 42197797) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-cyclohexyl-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide
PubChem CID42197797
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-cyclohexyl-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide
SMILESO=C(NCCCOc1cccnc1)c1cn(C2CCCCC2)nn1
InChIInChI=1S/C17H23N5O2/c23-17(19-10-5-11-24-15-8-4-9-18-12-15)16-13-22(21-20-16)14-6-2-1-3-7-14/h4,8-9,12-14H,1-3,5-7,10-11H2,(H,19,23)
InChIKeyJKPFYCHKGLSROE-UHFFFAOYSA-N
XLogP2.38
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(azetidin-3-yl)-N-(2-phenoxyethyl)triazole-4-carboxamide
CID 79319023
N-[3-(4-methylphenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119757238
1-[(2-fluorophenyl)methyl]-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide
CID 42291201
1-[(2-methylphenyl)methyl]-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide
CID 42533380
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 79316040
N-[2-(4-chlorophenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119690029
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119900688
3-[2-[(1-cyclohexyltriazole-4-carbonyl)amino]ethyldisulfanyl]propanoic acid
CID 167809282
N-[2-(3,5-dimethoxyphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822603
1-cycloheptyl-N-[2-(oxan-2-yl)ethyl]triazole-4-carboxamide
CID 45209096
N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 122080776
1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide
CID 63284386

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide?
The IUPAC name of 1-cyclohexyl-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide (CID 42197797) is 1-cyclohexyl-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide is O=C(NCCCOc1cccnc1)c1cn(C2CCCCC2)nn1.
What is the InChIKey of 1-cyclohexyl-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide?
The InChIKey is JKPFYCHKGLSROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c23-17(19-10-5-11-24-15-8-4-9-18-12-15)16-13-22(21-20-16)14-6-2-1-3-7-14/h4,8-9,12-14H,1-3,5-7,10-11H2,(H,19,23).
What are the key properties of 1-cyclohexyl-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide?
1-cyclohexyl-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide is sourced from PubChem (CID 42197797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).