1-(cyclohexanecarbonyl)-1,2,4-triazole-3-carboxamide

C10H14N4O2 — CID 21481192

IUPAC1-(cyclohexanecarbonyl)-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn(C(=O)C2CCCCC2)n1
InChIInChI=1S/C10H14N4O2/c11-8(15)9-12-6-14(13-9)10(16)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,15)
InChIKeyWSKILMBEPZUZDS-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.60
Rot. Bonds2

About 1-(cyclohexanecarbonyl)-1,2,4-triazole-3-carboxamide

1-(cyclohexanecarbonyl)-1,2,4-triazole-3-carboxamide (PubChem CID 21481192) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)-1,2,4-triazole-3-carboxamide
PubChem CID21481192
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-(cyclohexanecarbonyl)-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn(C(=O)C2CCCCC2)n1
InChIInChI=1S/C10H14N4O2/c11-8(15)9-12-6-14(13-9)10(16)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,15)
InChIKeyWSKILMBEPZUZDS-UHFFFAOYSA-N
XLogP0.60
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[1-(cyclopentanecarbonyl)piperidin-4-yl]pyrazine-2,5-dicarboxamide
CID 137336941
1-[5-(aminomethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 146511172
2-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110084529
1-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide
CID 141069706
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
6-[4-(cyclohexanecarbonyl)piperazin-1-yl]pyridine-2-carboxamide
CID 173079104
1-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 20680311
6-(cyclohexylamino)pyridine-3-carboxamide;hydrochloride
CID 3031414
(3-amino-1-methylpyrazol-5-yl)-cycloheptylmethanone
CID 122171286
3-amino-2-(cyclohexanecarbonyl)-5-sulfanylidene-1H-pyrazole-4-carboxamide
CID 10659539

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(cyclohexanecarbonyl)-1,2,4-triazole-3-carboxamide (CID 21481192) is 1-(cyclohexanecarbonyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(cyclohexanecarbonyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(cyclohexanecarbonyl)-1,2,4-triazole-3-carboxamide is NC(=O)c1ncn(C(=O)C2CCCCC2)n1.
What is the InChIKey of 1-(cyclohexanecarbonyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is WSKILMBEPZUZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-8(15)9-12-6-14(13-9)10(16)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,15).
What are the key properties of 1-(cyclohexanecarbonyl)-1,2,4-triazole-3-carboxamide?
1-(cyclohexanecarbonyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 222.25 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 21481192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).