5-cyclohexa-2,4-dien-1-yl-3-ethenyl-1H-1,2,4-triazole

C10H11N3 — CID 91505192

IUPAC5-cyclohexa-2,4-dien-1-yl-3-ethenyl-1H-1,2,4-triazole
SMILESC=Cc1n[nH]c(C2C=CC=CC2)n1
InChIInChI=1S/C10H11N3/c1-2-9-11-10(13-12-9)8-6-4-3-5-7-8/h2-6,8H,1,7H2,(H,11,12,13)
InChIKeyVCAXGBRARNFDHX-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.05
Rot. Bonds2

About 5-cyclohexa-2,4-dien-1-yl-3-ethenyl-1H-1,2,4-triazole

5-cyclohexa-2,4-dien-1-yl-3-ethenyl-1H-1,2,4-triazole (PubChem CID 91505192) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 5-cyclohexa-2,4-dien-1-yl-3-ethenyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclohexa-2,4-dien-1-yl-3-ethenyl-1H-1,2,4-triazole
PubChem CID91505192
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name5-cyclohexa-2,4-dien-1-yl-3-ethenyl-1H-1,2,4-triazole
SMILESC=Cc1n[nH]c(C2C=CC=CC2)n1
InChIInChI=1S/C10H11N3/c1-2-9-11-10(13-12-9)8-6-4-3-5-7-8/h2-6,8H,1,7H2,(H,11,12,13)
InChIKeyVCAXGBRARNFDHX-UHFFFAOYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

potassium 5-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1H-1,2,4-triazole
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5-(cyclopenta-1,3-dien-1-ylmethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 100978616
5-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-1H-1,2,4-triazol-3-amine
CID 162543317
3-cyclohexa-1,5-dien-1-yl-5-propan-2-yl-1H-1,2,4-triazole
CID 17946487
3-cyclopropyl-5-prop-2-enyl-1H-1,2,4-triazole
CID 58549923
5-cyclohexa-2,4-dien-1-yl-1H-1,2,4-triazole
CID 69763244
3-cyclohexa-2,4-dien-1-yl-5-methyl-1H-1,2,4-triazole
CID 70331206
3-cyclohexa-2,4-dien-1-yl-5-ethyl-1H-1,2,4-triazole
CID 70334651
5-methyl-3-[(3E,5Z)-2-methylhepta-3,5-dien-3-yl]-1H-1,2,4-triazole
CID 88947372
3-hex-5-en-2-yl-5-methyl-1H-1,2,4-triazole
CID 88985313
5-methyl-3-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1H-1,2,4-triazole
CID 89611446
5-methyl-3-[(3E)-2-methylpenta-1,3-dien-3-yl]-1H-1,2,4-triazole
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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-2,4-dien-1-yl-3-ethenyl-1H-1,2,4-triazole?
The IUPAC name of 5-cyclohexa-2,4-dien-1-yl-3-ethenyl-1H-1,2,4-triazole (CID 91505192) is 5-cyclohexa-2,4-dien-1-yl-3-ethenyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclohexa-2,4-dien-1-yl-3-ethenyl-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclohexa-2,4-dien-1-yl-3-ethenyl-1H-1,2,4-triazole is C=Cc1n[nH]c(C2C=CC=CC2)n1.
What is the InChIKey of 5-cyclohexa-2,4-dien-1-yl-3-ethenyl-1H-1,2,4-triazole?
The InChIKey is VCAXGBRARNFDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-2-9-11-10(13-12-9)8-6-4-3-5-7-8/h2-6,8H,1,7H2,(H,11,12,13).
What are the key properties of 5-cyclohexa-2,4-dien-1-yl-3-ethenyl-1H-1,2,4-triazole?
5-cyclohexa-2,4-dien-1-yl-3-ethenyl-1H-1,2,4-triazole has a molecular weight of 173.22 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-2,4-dien-1-yl-3-ethenyl-1H-1,2,4-triazole is sourced from PubChem (CID 91505192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).