N-cyclohexyl-1,2,4-triazole-1-carboxamide

C9H14N4O — CID 20788037

IUPACN-cyclohexyl-1,2,4-triazole-1-carboxamide
SMILESO=C(NC1CCCCC1)n1cncn1
InChIInChI=1S/C9H14N4O/c14-9(13-7-10-6-11-13)12-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,12,14)
InChIKeyHUYXCVGFIGQQEQ-UHFFFAOYSA-N
MW194.24 g/mol
LogP1.17
Rot. Bonds1

About N-cyclohexyl-1,2,4-triazole-1-carboxamide

N-cyclohexyl-1,2,4-triazole-1-carboxamide (PubChem CID 20788037) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-cyclohexyl-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1,2,4-triazole-1-carboxamide
PubChem CID20788037
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-cyclohexyl-1,2,4-triazole-1-carboxamide
SMILESO=C(NC1CCCCC1)n1cncn1
InChIInChI=1S/C9H14N4O/c14-9(13-7-10-6-11-13)12-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,12,14)
InChIKeyHUYXCVGFIGQQEQ-UHFFFAOYSA-N
XLogP1.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-hexyl-1,2,4-triazole-1-carboxamide
CID 137637830
3-amino-N-[6-[(3-amino-1,2,4-triazole-1-carbonyl)amino]hexyl]-1,2,4-triazole-1-carboxamide
CID 137638030
3-amino-N-butyl-1,2,4-triazole-1-carboxamide
CID 137644289
3-amino-N-octadecyl-1,2,4-triazole-1-carboxamide
CID 137649591
N-butyl-1,2,4-triazole-1-carboxamide
CID 44306069
N-Isopropyl-1H-1,2,4-triazole-1-carboxamide
CID 44306070
N-Propyl-1H-1,2,4-triazole-1-carboxamide
CID 44306088
1-(2-Methyl-1,2,4-triazol-3-yl)-3-(3-piperidin-1-ylbutyl)urea
CID 75484662
1-(2-Tert-butyl-1,2,4-triazol-3-yl)-3-cyclopentylurea
CID 122131658
1-(1-Cyclohexyl-1,2,4-triazol-3-yl)-3-(2-piperidin-1-ylethyl)urea
CID 126787239
1-cyclohexyl-3-(1H-1,2,4-triazol-3-yl)urea
CID 3500978
5-amino-N-[6-[(5-amino-1,2,4-triazole-1-carbonyl)amino]hexyl]-1,2,4-triazole-1-carboxamide
CID 74229591

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,2,4-triazole-1-carboxamide?
The IUPAC name of N-cyclohexyl-1,2,4-triazole-1-carboxamide (CID 20788037) is N-cyclohexyl-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-1,2,4-triazole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-1,2,4-triazole-1-carboxamide is O=C(NC1CCCCC1)n1cncn1.
What is the InChIKey of N-cyclohexyl-1,2,4-triazole-1-carboxamide?
The InChIKey is HUYXCVGFIGQQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c14-9(13-7-10-6-11-13)12-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,12,14).
What are the key properties of N-cyclohexyl-1,2,4-triazole-1-carboxamide?
N-cyclohexyl-1,2,4-triazole-1-carboxamide has a molecular weight of 194.24 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 20788037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).