1-(2-bicyclo[4.1.0]hept-4-enylmethyl)-5-methyl-1,2,4-triazole

C11H15N3 — CID 163996097

IUPAC1-(2-bicyclo[4.1.0]hept-4-enylmethyl)-5-methyl-1,2,4-triazole
SMILESCc1ncnn1CC1CC=CC2CC21
InChIInChI=1S/C11H15N3/c1-8-12-7-13-14(8)6-10-4-2-3-9-5-11(9)10/h2-3,7,9-11H,4-6H2,1H3
InChIKeyUEUZRMSTQBWBBB-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.80
Rot. Bonds2

About 1-(2-bicyclo[4.1.0]hept-4-enylmethyl)-5-methyl-1,2,4-triazole

1-(2-bicyclo[4.1.0]hept-4-enylmethyl)-5-methyl-1,2,4-triazole (PubChem CID 163996097) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(2-bicyclo[4.1.0]hept-4-enylmethyl)-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-bicyclo[4.1.0]hept-4-enylmethyl)-5-methyl-1,2,4-triazole
PubChem CID163996097
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1-(2-bicyclo[4.1.0]hept-4-enylmethyl)-5-methyl-1,2,4-triazole
SMILESCc1ncnn1CC1CC=CC2CC21
InChIInChI=1S/C11H15N3/c1-8-12-7-13-14(8)6-10-4-2-3-9-5-11(9)10/h2-3,7,9-11H,4-6H2,1H3
InChIKeyUEUZRMSTQBWBBB-UHFFFAOYSA-N
XLogP1.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(1S)-cyclohex-3-en-1-yl]-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole
CID 129615629
Ethane;5-ethyl-7,8,10-triazatricyclo[5.3.0.02,4]deca-1(10),5,8-triene
CID 143502316
2-Butan-2-yl-1,8,9-triazatricyclo[5.3.0.02,4]deca-5,7,9-triene
CID 143724385
1-cyclohex-3-en-1-yl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 65600673
1-cyclohex-3-en-1-yl-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]methanamine
CID 65607840
1-cyclohex-3-en-1-yl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 65608035
1-cyclohex-3-en-1-yl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 65608036
(3-cyclohexen-1-ylmethyl)[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]methylamine
CID 70781971
N-(cyclohex-3-en-1-ylmethyl)-2-(1-methyl-1,2,4-triazol-3-yl)ethanamine
CID 80681300
1-[(1R)-cyclohex-3-en-1-yl]-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
CID 96407276
1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
CID 96407277
1-[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 99696889

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[4.1.0]hept-4-enylmethyl)-5-methyl-1,2,4-triazole?
The IUPAC name of 1-(2-bicyclo[4.1.0]hept-4-enylmethyl)-5-methyl-1,2,4-triazole (CID 163996097) is 1-(2-bicyclo[4.1.0]hept-4-enylmethyl)-5-methyl-1,2,4-triazole.
What is the SMILES notation for 1-(2-bicyclo[4.1.0]hept-4-enylmethyl)-5-methyl-1,2,4-triazole?
The canonical SMILES for 1-(2-bicyclo[4.1.0]hept-4-enylmethyl)-5-methyl-1,2,4-triazole is Cc1ncnn1CC1CC=CC2CC21.
What is the InChIKey of 1-(2-bicyclo[4.1.0]hept-4-enylmethyl)-5-methyl-1,2,4-triazole?
The InChIKey is UEUZRMSTQBWBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-8-12-7-13-14(8)6-10-4-2-3-9-5-11(9)10/h2-3,7,9-11H,4-6H2,1H3.
What are the key properties of 1-(2-bicyclo[4.1.0]hept-4-enylmethyl)-5-methyl-1,2,4-triazole?
1-(2-bicyclo[4.1.0]hept-4-enylmethyl)-5-methyl-1,2,4-triazole has a molecular weight of 189.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[4.1.0]hept-4-enylmethyl)-5-methyl-1,2,4-triazole is sourced from PubChem (CID 163996097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).