1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide

C16H24N6O — CID 31042658

IUPAC1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide
SMILESCc1cnc(CN(C)C(=O)c2cn(CC3CCCCC3)nn2)[nH]1
InChIInChI=1S/C16H24N6O/c1-12-8-17-15(18-12)11-21(2)16(23)14-10-22(20-19-14)9-13-6-4-3-5-7-13/h8,10,13H,3-7,9,11H2,1-2H3,(H,17,18)
InChIKeyPAYLCGHNZGGLDS-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.16
Rot. Bonds5

About 1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide

1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide (PubChem CID 31042658) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide
PubChem CID31042658
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide
SMILESCc1cnc(CN(C)C(=O)c2cn(CC3CCCCC3)nn2)[nH]1
InChIInChI=1S/C16H24N6O/c1-12-8-17-15(18-12)11-21(2)16(23)14-10-22(20-19-14)9-13-6-4-3-5-7-13/h8,10,13H,3-7,9,11H2,1-2H3,(H,17,18)
InChIKeyPAYLCGHNZGGLDS-UHFFFAOYSA-N
XLogP2.16
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide (CID 31042658) is 1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide is Cc1cnc(CN(C)C(=O)c2cn(CC3CCCCC3)nn2)[nH]1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide?
The InChIKey is PAYLCGHNZGGLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-12-8-17-15(18-12)11-21(2)16(23)14-10-22(20-19-14)9-13-6-4-3-5-7-13/h8,10,13H,3-7,9,11H2,1-2H3,(H,17,18).
What are the key properties of 1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide?
1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 31042658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).