5-cyclohex-2-en-1-yl-1H-1,2,4-triazole

C8H11N3 — CID 91378833

IUPAC5-cyclohex-2-en-1-yl-1H-1,2,4-triazole
SMILESC1=CC(c2ncn[nH]2)CCC1
InChIInChI=1S/C8H11N3/c1-2-4-7(5-3-1)8-9-6-10-11-8/h2,4,6-7H,1,3,5H2,(H,9,10,11)
InChIKeyATUCBNKVZNQGSM-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.63
Rot. Bonds1

About 5-cyclohex-2-en-1-yl-1H-1,2,4-triazole

5-cyclohex-2-en-1-yl-1H-1,2,4-triazole (PubChem CID 91378833) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 5-cyclohex-2-en-1-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclohex-2-en-1-yl-1H-1,2,4-triazole
PubChem CID91378833
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name5-cyclohex-2-en-1-yl-1H-1,2,4-triazole
SMILESC1=CC(c2ncn[nH]2)CCC1
InChIInChI=1S/C8H11N3/c1-2-4-7(5-3-1)8-9-6-10-11-8/h2,4,6-7H,1,3,5H2,(H,9,10,11)
InChIKeyATUCBNKVZNQGSM-UHFFFAOYSA-N
XLogP1.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-1H-1,2,4-triazole
CID 162591593
5-octadec-9-enyl-1H-1,2,4-triazole
CID 53678264
5-hex-1-enyl-1H-1,2,4-triazole
CID 54111576
5-[(5,5-dimethyl-2-non-1-enylcyclohexyl)methyl]-1H-1,2,4-triazole
CID 67805125
5-[(Z)-octadec-9-enyl]-1H-1,2,4-triazole
CID 67896261
5-cyclohexa-2,4-dien-1-yl-1H-1,2,4-triazole
CID 69763244
1-(1-(1,2,4-Triazolyl)ethyl]benzonitrile
CID 86744430
1-(1,2,4-Triazolylmethyl)benzonitrile
CID 86744431
5-(2-methylidenecyclohexyl)-1H-1,2,4-triazole
CID 90830854
5-pent-3-enyl-1H-1,2,4-triazole
CID 90974039
5-but-3-enyl-1H-1,2,4-triazole
CID 90977684
5-cyclohex-3-en-1-yl-1H-1,2,4-triazole
CID 91374929

Frequently Asked Questions

What is the IUPAC name of 5-cyclohex-2-en-1-yl-1H-1,2,4-triazole?
The IUPAC name of 5-cyclohex-2-en-1-yl-1H-1,2,4-triazole (CID 91378833) is 5-cyclohex-2-en-1-yl-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclohex-2-en-1-yl-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclohex-2-en-1-yl-1H-1,2,4-triazole is C1=CC(c2ncn[nH]2)CCC1.
What is the InChIKey of 5-cyclohex-2-en-1-yl-1H-1,2,4-triazole?
The InChIKey is ATUCBNKVZNQGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-2-4-7(5-3-1)8-9-6-10-11-8/h2,4,6-7H,1,3,5H2,(H,9,10,11).
What are the key properties of 5-cyclohex-2-en-1-yl-1H-1,2,4-triazole?
5-cyclohex-2-en-1-yl-1H-1,2,4-triazole has a molecular weight of 149.20 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohex-2-en-1-yl-1H-1,2,4-triazole is sourced from PubChem (CID 91378833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).