5-methyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1H-imidazole-4-carboxamide

C13H18N6O — CID 56754494

IUPAC5-methyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)NC1CCC(n2cnnc2)CC1
InChIInChI=1S/C13H18N6O/c1-9-12(15-6-14-9)13(20)18-10-2-4-11(5-3-10)19-7-16-17-8-19/h6-8,10-11H,2-5H2,1H3,(H,14,15)(H,18,20)
InChIKeyYHJHERVSYPBIOG-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.22
Rot. Bonds3

About 5-methyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1H-imidazole-4-carboxamide

5-methyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1H-imidazole-4-carboxamide (PubChem CID 56754494) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-methyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1H-imidazole-4-carboxamide
PubChem CID56754494
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name5-methyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)NC1CCC(n2cnnc2)CC1
InChIInChI=1S/C13H18N6O/c1-9-12(15-6-14-9)13(20)18-10-2-4-11(5-3-10)19-7-16-17-8-19/h6-8,10-11H,2-5H2,1H3,(H,14,15)(H,18,20)
InChIKeyYHJHERVSYPBIOG-UHFFFAOYSA-N
XLogP1.22
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1H-imidazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1H-imidazole-4-carboxamide (CID 56754494) is 5-methyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1H-imidazole-4-carboxamide is Cc1[nH]cnc1C(=O)NC1CCC(n2cnnc2)CC1.
What is the InChIKey of 5-methyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1H-imidazole-4-carboxamide?
The InChIKey is YHJHERVSYPBIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-9-12(15-6-14-9)13(20)18-10-2-4-11(5-3-10)19-7-16-17-8-19/h6-8,10-11H,2-5H2,1H3,(H,14,15)(H,18,20).
What are the key properties of 5-methyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1H-imidazole-4-carboxamide?
5-methyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1H-imidazole-4-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 56754494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).