N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2H-triazole-4-carboxamide

C13H23N5O — CID 78968404

IUPACN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2H-triazole-4-carboxamide
SMILESCC1CCCC(CNC(=O)c2cn[nH]n2)(N(C)C)C1
InChIInChI=1S/C13H23N5O/c1-10-5-4-6-13(7-10,18(2)3)9-14-12(19)11-8-15-17-16-11/h8,10H,4-7,9H2,1-3H3,(H,14,19)(H,15,16,17)
InChIKeyJMEISRGDJWGHDC-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.04
Rot. Bonds4

About N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2H-triazole-4-carboxamide

N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2H-triazole-4-carboxamide (PubChem CID 78968404) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2H-triazole-4-carboxamide
PubChem CID78968404
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2H-triazole-4-carboxamide
SMILESCC1CCCC(CNC(=O)c2cn[nH]n2)(N(C)C)C1
InChIInChI=1S/C13H23N5O/c1-10-5-4-6-13(7-10,18(2)3)9-14-12(19)11-8-15-17-16-11/h8,10H,4-7,9H2,1-3H3,(H,14,19)(H,15,16,17)
InChIKeyJMEISRGDJWGHDC-UHFFFAOYSA-N
XLogP1.04
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2H-triazole-4-carboxamide (CID 78968404) is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2H-triazole-4-carboxamide is CC1CCCC(CNC(=O)c2cn[nH]n2)(N(C)C)C1.
What is the InChIKey of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2H-triazole-4-carboxamide?
The InChIKey is JMEISRGDJWGHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-10-5-4-6-13(7-10,18(2)3)9-14-12(19)11-8-15-17-16-11/h8,10H,4-7,9H2,1-3H3,(H,14,19)(H,15,16,17).
What are the key properties of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2H-triazole-4-carboxamide?
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2H-triazole-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 78968404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).