1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1,2,4-triazole

C10H11N3 — CID 142207384

IUPAC1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1,2,4-triazole
SMILESCC1=CC2CC2(n2cncn2)C=C1
InChIInChI=1S/C10H11N3/c1-8-2-3-10(5-9(10)4-8)13-7-11-6-12-13/h2-4,6-7,9H,5H2,1H3
InChIKeyWDCVWMIDYMCIMN-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.51
Rot. Bonds1

About 1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1,2,4-triazole

1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1,2,4-triazole (PubChem CID 142207384) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1,2,4-triazole
PubChem CID142207384
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1,2,4-triazole
SMILESCC1=CC2CC2(n2cncn2)C=C1
InChIInChI=1S/C10H11N3/c1-8-2-3-10(5-9(10)4-8)13-7-11-6-12-13/h2-4,6-7,9H,5H2,1H3
InChIKeyWDCVWMIDYMCIMN-UHFFFAOYSA-N
XLogP1.51
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1,2,4-triazole?
The IUPAC name of 1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1,2,4-triazole (CID 142207384) is 1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1,2,4-triazole.
What is the SMILES notation for 1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1,2,4-triazole?
The canonical SMILES for 1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1,2,4-triazole is CC1=CC2CC2(n2cncn2)C=C1.
What is the InChIKey of 1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1,2,4-triazole?
The InChIKey is WDCVWMIDYMCIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-8-2-3-10(5-9(10)4-8)13-7-11-6-12-13/h2-4,6-7,9H,5H2,1H3.
What are the key properties of 1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1,2,4-triazole?
1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1,2,4-triazole has a molecular weight of 173.22 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1,2,4-triazole is sourced from PubChem (CID 142207384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).