4-methyl-N-[4-(triazol-1-yl)cyclohexyl]cyclohexane-1-carboxamide

C16H26N4O — CID 141160503

IUPAC4-methyl-N-[4-(triazol-1-yl)cyclohexyl]cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC2CCC(n3ccnn3)CC2)CC1
InChIInChI=1S/C16H26N4O/c1-12-2-4-13(5-3-12)16(21)18-14-6-8-15(9-7-14)20-11-10-17-19-20/h10-15H,2-9H2,1H3,(H,18,21)
InChIKeyGPNTXSKCROOETP-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.70
Rot. Bonds3

About 4-methyl-N-[4-(triazol-1-yl)cyclohexyl]cyclohexane-1-carboxamide

4-methyl-N-[4-(triazol-1-yl)cyclohexyl]cyclohexane-1-carboxamide (PubChem CID 141160503) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-methyl-N-[4-(triazol-1-yl)cyclohexyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-(triazol-1-yl)cyclohexyl]cyclohexane-1-carboxamide
PubChem CID141160503
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-methyl-N-[4-(triazol-1-yl)cyclohexyl]cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC2CCC(n3ccnn3)CC2)CC1
InChIInChI=1S/C16H26N4O/c1-12-2-4-13(5-3-12)16(21)18-14-6-8-15(9-7-14)20-11-10-17-19-20/h10-15H,2-9H2,1H3,(H,18,21)
InChIKeyGPNTXSKCROOETP-UHFFFAOYSA-N
XLogP2.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(triazol-1-yl)cyclohexyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-[4-(triazol-1-yl)cyclohexyl]cyclohexane-1-carboxamide (CID 141160503) is 4-methyl-N-[4-(triazol-1-yl)cyclohexyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-(triazol-1-yl)cyclohexyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-[4-(triazol-1-yl)cyclohexyl]cyclohexane-1-carboxamide is CC1CCC(C(=O)NC2CCC(n3ccnn3)CC2)CC1.
What is the InChIKey of 4-methyl-N-[4-(triazol-1-yl)cyclohexyl]cyclohexane-1-carboxamide?
The InChIKey is GPNTXSKCROOETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12-2-4-13(5-3-12)16(21)18-14-6-8-15(9-7-14)20-11-10-17-19-20/h10-15H,2-9H2,1H3,(H,18,21).
What are the key properties of 4-methyl-N-[4-(triazol-1-yl)cyclohexyl]cyclohexane-1-carboxamide?
4-methyl-N-[4-(triazol-1-yl)cyclohexyl]cyclohexane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(triazol-1-yl)cyclohexyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 141160503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).