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

C16H24N6O — CID 56913352

IUPAC1-cycloheptyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide
SMILESCc1cnc(CN(C)C(=O)c2cn(C3CCCCCC3)nn2)[nH]1
InChIInChI=1S/C16H24N6O/c1-12-9-17-15(18-12)11-21(2)16(23)14-10-22(20-19-14)13-7-5-3-4-6-8-13/h9-10,13H,3-8,11H2,1-2H3,(H,17,18)
InChIKeyBQYZHBSFCXZZJR-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.48
Rot. Bonds4

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

1-cycloheptyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide (PubChem CID 56913352) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-cycloheptyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide
PubChem CID56913352
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name1-cycloheptyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide
SMILESCc1cnc(CN(C)C(=O)c2cn(C3CCCCCC3)nn2)[nH]1
InChIInChI=1S/C16H24N6O/c1-12-9-17-15(18-12)11-21(2)16(23)14-10-22(20-19-14)13-7-5-3-4-6-8-13/h9-10,13H,3-8,11H2,1-2H3,(H,17,18)
InChIKeyBQYZHBSFCXZZJR-UHFFFAOYSA-N
XLogP2.48
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-cycloheptyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide (CID 56913352) is 1-cycloheptyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-cycloheptyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-cycloheptyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide is Cc1cnc(CN(C)C(=O)c2cn(C3CCCCCC3)nn2)[nH]1.
What is the InChIKey of 1-cycloheptyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide?
The InChIKey is BQYZHBSFCXZZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-12-9-17-15(18-12)11-21(2)16(23)14-10-22(20-19-14)13-7-5-3-4-6-8-13/h9-10,13H,3-8,11H2,1-2H3,(H,17,18).
What are the key properties of 1-cycloheptyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide?
1-cycloheptyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 56913352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).