1-cycloheptyl-1,2,4-triazole-3-carbonitrile

C10H14N4 — CID 82924529

IUPAC1-cycloheptyl-1,2,4-triazole-3-carbonitrile
SMILESN#Cc1ncn(C2CCCCCC2)n1
InChIInChI=1S/C10H14N4/c11-7-10-12-8-14(13-10)9-5-3-1-2-4-6-9/h8-9H,1-6H2
InChIKeyBFLWHSCRGRIBOC-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.05
Rot. Bonds1

About 1-cycloheptyl-1,2,4-triazole-3-carbonitrile

1-cycloheptyl-1,2,4-triazole-3-carbonitrile (PubChem CID 82924529) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-cycloheptyl-1,2,4-triazole-3-carbonitrile.

Molecular Properties

Compound Name1-cycloheptyl-1,2,4-triazole-3-carbonitrile
PubChem CID82924529
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name1-cycloheptyl-1,2,4-triazole-3-carbonitrile
SMILESN#Cc1ncn(C2CCCCCC2)n1
InChIInChI=1S/C10H14N4/c11-7-10-12-8-14(13-10)9-5-3-1-2-4-6-9/h8-9H,1-6H2
InChIKeyBFLWHSCRGRIBOC-UHFFFAOYSA-N
XLogP2.05
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylcyclohexyl)-1,2,4-triazole-3-carbonitrile
CID 64773861
1-(2-cyanocycloheptyl)-1,2,4-triazole-3-carbonitrile
CID 62951230
1-(5-oxaspiro[3.5]nonan-8-yl)-1,2,4-triazole-3-carbonitrile
CID 79920603
1-[3-cyano-3-(ethylamino)cyclohexyl]-1,2,4-triazole-3-carbonitrile
CID 79624945
1-cycloheptylimidazole-4,5-dicarbonitrile
CID 112595680
3-bromo-1-cyclopentyl-1,2,4-triazole
CID 119053455
1-cycloheptyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile
CID 105487277
(1-cyclopentyl-1,2,4-triazol-3-yl)methanamine
CID 62952024
1-cyclopentyl-3-nitropyrazole-4-carbonitrile
CID 146680487
1-[2-(1-methylpiperidin-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile
CID 103607029
1-cyclopentyl-4-methylpyrazol-3-amine;hydrochloride
CID 156589572
1-cyclobutylpyrazole-4-carbonitrile
CID 105429045

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-1,2,4-triazole-3-carbonitrile?
The IUPAC name of 1-cycloheptyl-1,2,4-triazole-3-carbonitrile (CID 82924529) is 1-cycloheptyl-1,2,4-triazole-3-carbonitrile.
What is the SMILES notation for 1-cycloheptyl-1,2,4-triazole-3-carbonitrile?
The canonical SMILES for 1-cycloheptyl-1,2,4-triazole-3-carbonitrile is N#Cc1ncn(C2CCCCCC2)n1.
What is the InChIKey of 1-cycloheptyl-1,2,4-triazole-3-carbonitrile?
The InChIKey is BFLWHSCRGRIBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c11-7-10-12-8-14(13-10)9-5-3-1-2-4-6-9/h8-9H,1-6H2.
What are the key properties of 1-cycloheptyl-1,2,4-triazole-3-carbonitrile?
1-cycloheptyl-1,2,4-triazole-3-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-1,2,4-triazole-3-carbonitrile is sourced from PubChem (CID 82924529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).