1-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide

C12H17N5O — CID 64531164

IUPAC1-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCCc2ncn[nH]2)CCCCC1
InChIInChI=1S/C12H17N5O/c13-8-12(5-2-1-3-6-12)11(18)14-7-4-10-15-9-16-17-10/h9H,1-7H2,(H,14,18)(H,15,16,17)
InChIKeyIXMKTRFCBKSIES-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.94
Rot. Bonds4

About 1-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide

1-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 64531164) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID64531164
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCCc2ncn[nH]2)CCCCC1
InChIInChI=1S/C12H17N5O/c13-8-12(5-2-1-3-6-12)11(18)14-7-4-10-15-9-16-17-10/h9H,1-7H2,(H,14,18)(H,15,16,17)
InChIKeyIXMKTRFCBKSIES-UHFFFAOYSA-N
XLogP0.94
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide
CID 80593200
1-cyano-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 113253187
1-(N'-hydroxycarbamimidoyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 77046411
1-(N'-hydroxycarbamimidoyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 77046330
1-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]cyclohexane-1-carboxylic acid
CID 64545613
1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclopentane-1-carboxamide
CID 79001381
2-[1-(aminomethyl)cyclohexyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 104678292
1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptane-1-carboxamide
CID 80682385
1-cyano-N-[2-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 98956668
4-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64547578
1-cyano-N-(2-thiophen-2-ylethyl)cyclobutane-1-carboxamide
CID 78994707
2-methyl-1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 64523521

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide (CID 64531164) is 1-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide is N#CC1(C(=O)NCCc2ncn[nH]2)CCCCC1.
What is the InChIKey of 1-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is IXMKTRFCBKSIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c13-8-12(5-2-1-3-6-12)11(18)14-7-4-10-15-9-16-17-10/h9H,1-7H2,(H,14,18)(H,15,16,17).
What are the key properties of 1-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide?
1-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64531164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).