1-(4-aminocyclohexyl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]triazole-4-carboxamide

C16H26N8O2 — CID 70738966

IUPAC1-(4-aminocyclohexyl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]triazole-4-carboxamide
SMILESCOCCn1cnnc1C(C)NC(=O)c1cn(C2CCC(N)CC2)nn1
InChIInChI=1S/C16H26N8O2/c1-11(15-21-18-10-23(15)7-8-26-2)19-16(25)14-9-24(22-20-14)13-5-3-12(17)4-6-13/h9-13H,3-8,17H2,1-2H3,(H,19,25)
InChIKeyWPXNZSWFDTXCKY-UHFFFAOYSA-N
MW362.44 g/mol
LogP0.45
Rot. Bonds7

About 1-(4-aminocyclohexyl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]triazole-4-carboxamide

1-(4-aminocyclohexyl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]triazole-4-carboxamide (PubChem CID 70738966) has the molecular formula C16H26N8O2 and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]triazole-4-carboxamide
PubChem CID70738966
Molecular FormulaC16H26N8O2
Molecular Weight362.44 g/mol
Exact Mass362.22
IUPAC Name1-(4-aminocyclohexyl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]triazole-4-carboxamide
SMILESCOCCn1cnnc1C(C)NC(=O)c1cn(C2CCC(N)CC2)nn1
InChIInChI=1S/C16H26N8O2/c1-11(15-21-18-10-23(15)7-8-26-2)19-16(25)14-9-24(22-20-14)13-5-3-12(17)4-6-13/h9-13H,3-8,17H2,1-2H3,(H,19,25)
InChIKeyWPXNZSWFDTXCKY-UHFFFAOYSA-N
XLogP0.45
TPSA125.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-(2-cyclohexylethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 56904759
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-piperazin-1-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70706289
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
N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70752750
N-{2-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}pyrazine-2-carboxamide
CID 91769711
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-[1-[(3S)-piperidin-3-yl]triazol-4-yl]methanone
CID 177663111
1-({(2S)-4,4-Difluoro-1-[(1-methyl-1H-imidazol-4-YL)carbonyl]tetrahydro-1H-pyrrol-2-YL}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
CID 137904224
1-({(2S)-4,4-Difluoro-1-[(1-methyl-1H-imidazol-5-YL)carbonyl]-2-pyrrolidinyl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
CID 137904387
1-({(2S)-4,4-Difluoro-1-[3-(1H-imidazol-1-YL)propanoyl]tetrahydro-1H-pyrrol-2-YL}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
CID 137904396
1-(4-aminocyclohexyl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 154895037

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-aminocyclohexyl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]triazole-4-carboxamide (CID 70738966) is 1-(4-aminocyclohexyl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-aminocyclohexyl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-aminocyclohexyl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]triazole-4-carboxamide is COCCn1cnnc1C(C)NC(=O)c1cn(C2CCC(N)CC2)nn1.
What is the InChIKey of 1-(4-aminocyclohexyl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]triazole-4-carboxamide?
The InChIKey is WPXNZSWFDTXCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N8O2/c1-11(15-21-18-10-23(15)7-8-26-2)19-16(25)14-9-24(22-20-14)13-5-3-12(17)4-6-13/h9-13H,3-8,17H2,1-2H3,(H,19,25).
What are the key properties of 1-(4-aminocyclohexyl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]triazole-4-carboxamide?
1-(4-aminocyclohexyl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]triazole-4-carboxamide has a molecular weight of 362.44 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]triazole-4-carboxamide is sourced from PubChem (CID 70738966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).