N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1H-imidazole-2-carboxamide

C13H18N6O — CID 56867183

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1H-imidazole-2-carboxamide
SMILESO=C(NCc1nncn1C1CCCCC1)c1ncc[nH]1
InChIInChI=1S/C13H18N6O/c20-13(12-14-6-7-15-12)16-8-11-18-17-9-19(11)10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H,14,15)(H,16,20)
InChIKeyAXLLTWYRYUTHEQ-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.44
Rot. Bonds4

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1H-imidazole-2-carboxamide

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1H-imidazole-2-carboxamide (PubChem CID 56867183) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1H-imidazole-2-carboxamide
PubChem CID56867183
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1H-imidazole-2-carboxamide
SMILESO=C(NCc1nncn1C1CCCCC1)c1ncc[nH]1
InChIInChI=1S/C13H18N6O/c20-13(12-14-6-7-15-12)16-8-11-18-17-9-19(11)10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H,14,15)(H,16,20)
InChIKeyAXLLTWYRYUTHEQ-UHFFFAOYSA-N
XLogP1.44
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1H-imidazole-2-carboxamide?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1H-imidazole-2-carboxamide (CID 56867183) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1H-imidazole-2-carboxamide is O=C(NCc1nncn1C1CCCCC1)c1ncc[nH]1.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1H-imidazole-2-carboxamide?
The InChIKey is AXLLTWYRYUTHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c20-13(12-14-6-7-15-12)16-8-11-18-17-9-19(11)10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H,14,15)(H,16,20).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1H-imidazole-2-carboxamide?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1H-imidazole-2-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 56867183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).