1-(2-cyclohexylethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide

C16H25N7O — CID 56904759

IUPAC1-(2-cyclohexylethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide
SMILESCc1nc(C(C)NC(=O)c2cn(CCC3CCCCC3)nn2)n[nH]1
InChIInChI=1S/C16H25N7O/c1-11(15-18-12(2)19-21-15)17-16(24)14-10-23(22-20-14)9-8-13-6-4-3-5-7-13/h10-11,13H,3-9H2,1-2H3,(H,17,24)(H,18,19,21)
InChIKeyHVCRYAASVCNSST-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.17
Rot. Bonds6

About 1-(2-cyclohexylethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide

1-(2-cyclohexylethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide (PubChem CID 56904759) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide
PubChem CID56904759
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC Name1-(2-cyclohexylethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide
SMILESCc1nc(C(C)NC(=O)c2cn(CCC3CCCCC3)nn2)n[nH]1
InChIInChI=1S/C16H25N7O/c1-11(15-18-12(2)19-21-15)17-16(24)14-10-23(22-20-14)9-8-13-6-4-3-5-7-13/h10-11,13H,3-9H2,1-2H3,(H,17,24)(H,18,19,21)
InChIKeyHVCRYAASVCNSST-UHFFFAOYSA-N
XLogP2.17
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-cyclohexylethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide with MolForge

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Related Compounds

1-(cyclohexylmethyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 42465167
[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone
CID 72127418
(3S,4S)-N-methyl-1-[(5-methyl-2-pyrazinyl)carbonyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrole-3-carboxamide
CID 91911181
1-(cis-4-aminocyclohexyl)-N-[1-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 70709218
N-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70719235
N-[2-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70724937
1-(cis-4-aminocyclohexyl)-N-{1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}-1H-1,2,3-triazole-4-carboxamide
CID 70738966
1-(cyclohexylmethyl)-N-isopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 42097962
1-methyl-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide
CID 125157749
(2-ethyltriazol-4-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 164639269
N-[(4,4-difluorocyclohexyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxamide
CID 138992291
1H-imidazol-5-yl-[4-(2-methylpropyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,4-diazepan-1-yl]methanone
CID 132336328

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-(2-cyclohexylethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide (CID 56904759) is 1-(2-cyclohexylethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-cyclohexylethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-cyclohexylethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide is Cc1nc(C(C)NC(=O)c2cn(CCC3CCCCC3)nn2)n[nH]1.
What is the InChIKey of 1-(2-cyclohexylethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide?
The InChIKey is HVCRYAASVCNSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-11(15-18-12(2)19-21-15)17-16(24)14-10-23(22-20-14)9-8-13-6-4-3-5-7-13/h10-11,13H,3-9H2,1-2H3,(H,17,24)(H,18,19,21).
What are the key properties of 1-(2-cyclohexylethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide?
1-(2-cyclohexylethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 56904759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).