1-(cyclohexylmethyl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]triazole-4-carboxamide

C17H28N4O2 — CID 95728030

IUPAC1-(cyclohexylmethyl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]triazole-4-carboxamide
SMILESCN(C[C@@H]1CCCCO1)C(=O)c1cn(CC2CCCCC2)nn1
InChIInChI=1S/C17H28N4O2/c1-20(12-15-9-5-6-10-23-15)17(22)16-13-21(19-18-16)11-14-7-3-2-4-8-14/h13-15H,2-12H2,1H3/t15-/m0/s1
InChIKeyVGGPEKOHRVFQSX-HNNXBMFYSA-N
MW320.44 g/mol
LogP2.50
Rot. Bonds5

About 1-(cyclohexylmethyl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]triazole-4-carboxamide

1-(cyclohexylmethyl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]triazole-4-carboxamide (PubChem CID 95728030) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]triazole-4-carboxamide
PubChem CID95728030
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-(cyclohexylmethyl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]triazole-4-carboxamide
SMILESCN(C[C@@H]1CCCCO1)C(=O)c1cn(CC2CCCCC2)nn1
InChIInChI=1S/C17H28N4O2/c1-20(12-15-9-5-6-10-23-15)17(22)16-13-21(19-18-16)11-14-7-3-2-4-8-14/h13-15H,2-12H2,1H3/t15-/m0/s1
InChIKeyVGGPEKOHRVFQSX-HNNXBMFYSA-N
XLogP2.50
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclohexylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyltriazole-4-carboxamide
CID 56716937
1-(cyclohexylmethyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide
CID 42212202
N-methyl-N-[[(2R)-oxan-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 95217132
N-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 55218707
5-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide
CID 107252486
6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 55052209
N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 95708149
N-(1,3-benzothiazol-2-ylmethyl)-1-(cyclohexylmethyl)-N-methyltriazole-4-carboxamide
CID 56914084
methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate
CID 129414230
5-amino-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 81315666
N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 42195701
5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95203947

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]triazole-4-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]triazole-4-carboxamide (CID 95728030) is 1-(cyclohexylmethyl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]triazole-4-carboxamide is CN(C[C@@H]1CCCCO1)C(=O)c1cn(CC2CCCCC2)nn1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is VGGPEKOHRVFQSX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-20(12-15-9-5-6-10-23-15)17(22)16-13-21(19-18-16)11-14-7-3-2-4-8-14/h13-15H,2-12H2,1H3/t15-/m0/s1.
What are the key properties of 1-(cyclohexylmethyl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]triazole-4-carboxamide?
1-(cyclohexylmethyl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 95728030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).