5-(cyclohexylmethyl)-1H-1,2,4-triazole-3-carboxamide

C10H16N4O — CID 134354245

IUPAC5-(cyclohexylmethyl)-1H-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1n[nH]c(CC2CCCCC2)n1
InChIInChI=1S/C10H16N4O/c11-9(15)10-12-8(13-14-10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,15)(H,12,13,14)
InChIKeyVHNIYDOZULVTQT-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.03
Rot. Bonds3

About 5-(cyclohexylmethyl)-1H-1,2,4-triazole-3-carboxamide

5-(cyclohexylmethyl)-1H-1,2,4-triazole-3-carboxamide (PubChem CID 134354245) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-1H-1,2,4-triazole-3-carboxamide
PubChem CID134354245
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-(cyclohexylmethyl)-1H-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1n[nH]c(CC2CCCCC2)n1
InChIInChI=1S/C10H16N4O/c11-9(15)10-12-8(13-14-10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,15)(H,12,13,14)
InChIKeyVHNIYDOZULVTQT-UHFFFAOYSA-N
XLogP1.03
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-(cyclohexylmethyl)-1H-1,2,4-triazole-3-carboxamide (CID 134354245) is 5-(cyclohexylmethyl)-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-(cyclohexylmethyl)-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-(cyclohexylmethyl)-1H-1,2,4-triazole-3-carboxamide is NC(=O)c1n[nH]c(CC2CCCCC2)n1.
What is the InChIKey of 5-(cyclohexylmethyl)-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is VHNIYDOZULVTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-9(15)10-12-8(13-14-10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,15)(H,12,13,14).
What are the key properties of 5-(cyclohexylmethyl)-1H-1,2,4-triazole-3-carboxamide?
5-(cyclohexylmethyl)-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 134354245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).