2-(2-methylphenyl)-4,5,6,7-tetrahydrobenzotriazole

C13H15N3 — CID 10751095

IUPAC2-(2-methylphenyl)-4,5,6,7-tetrahydrobenzotriazole
SMILESCc1ccccc1-n1nc2c(n1)CCCC2
InChIInChI=1S/C13H15N3/c1-10-6-2-5-9-13(10)16-14-11-7-3-4-8-12(11)15-16/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyOZDJYUQKOAAALZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.45
Rot. Bonds1

About 2-(2-methylphenyl)-4,5,6,7-tetrahydrobenzotriazole

2-(2-methylphenyl)-4,5,6,7-tetrahydrobenzotriazole (PubChem CID 10751095) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4,5,6,7-tetrahydrobenzotriazole.

Molecular Properties

Compound Name2-(2-methylphenyl)-4,5,6,7-tetrahydrobenzotriazole
PubChem CID10751095
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-(2-methylphenyl)-4,5,6,7-tetrahydrobenzotriazole
SMILESCc1ccccc1-n1nc2c(n1)CCCC2
InChIInChI=1S/C13H15N3/c1-10-6-2-5-9-13(10)16-14-11-7-3-4-8-12(11)15-16/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyOZDJYUQKOAAALZ-UHFFFAOYSA-N
XLogP2.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Sodium tolyltriazole
CID 23687327
2,5-Dimethyl-2H-benzo[d][1,2,3]triazole
CID 14835678
1H-Benzotriazole, C-chloro-C-methyl-
CID 73557373
4-(2H-1,2,3-benzotriazol-2-yl)-3-methylphenylamine
CID 4437595
2-(4-methylphenyl)-5,6-dihydro-2H-1,2,3-benzotriazole-4,7-dione dioxime
CID 135533980
2-(2,4-dimethylphenyl)-2H-benzotriazole
CID 11542450
2-(Benzotriazol-2-yl)-3-phenylacrylonitrile
CID 6474526
2-(Benzotriazol-2-yl)-3-(4-methylphenyl)-acrylonitrile
CID 6474534
(E)-2-(benzotriazol-2-yl)-3-(4-fluorophenyl)prop-2-enenitrile
CID 6475067
2-(4-Trifluoromethylphenyl)-2H-benzotriazole
CID 11564265
2-(4-methylphenyl)-2,5,6,7-tetrahydro-4H-1,2,3-benzotriazol-4-one oxime
CID 135514048
4-(Hydroxyimino)-2-phenyl-2,5,6,7-tetrahydrobenzotriazole
CID 135536526

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4,5,6,7-tetrahydrobenzotriazole?
The IUPAC name of 2-(2-methylphenyl)-4,5,6,7-tetrahydrobenzotriazole (CID 10751095) is 2-(2-methylphenyl)-4,5,6,7-tetrahydrobenzotriazole.
What is the SMILES notation for 2-(2-methylphenyl)-4,5,6,7-tetrahydrobenzotriazole?
The canonical SMILES for 2-(2-methylphenyl)-4,5,6,7-tetrahydrobenzotriazole is Cc1ccccc1-n1nc2c(n1)CCCC2.
What is the InChIKey of 2-(2-methylphenyl)-4,5,6,7-tetrahydrobenzotriazole?
The InChIKey is OZDJYUQKOAAALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10-6-2-5-9-13(10)16-14-11-7-3-4-8-12(11)15-16/h2,5-6,9H,3-4,7-8H2,1H3.
What are the key properties of 2-(2-methylphenyl)-4,5,6,7-tetrahydrobenzotriazole?
2-(2-methylphenyl)-4,5,6,7-tetrahydrobenzotriazole has a molecular weight of 213.28 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4,5,6,7-tetrahydrobenzotriazole is sourced from PubChem (CID 10751095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).