2-(2-methylcyclopropyl)benzotriazole

C10H11N3 — CID 10678802

IUPAC2-(2-methylcyclopropyl)benzotriazole
SMILESCC1CC1n1nc2ccccc2n1
InChIInChI=1S/C10H11N3/c1-7-6-10(7)13-11-8-4-2-3-5-9(8)12-13/h2-5,7,10H,6H2,1H3
InChIKeyJQWQXGMWJQWFRB-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.01
Rot. Bonds1

About 2-(2-methylcyclopropyl)benzotriazole

2-(2-methylcyclopropyl)benzotriazole (PubChem CID 10678802) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-(2-methylcyclopropyl)benzotriazole.

Molecular Properties

Compound Name2-(2-methylcyclopropyl)benzotriazole
PubChem CID10678802
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2-(2-methylcyclopropyl)benzotriazole
SMILESCC1CC1n1nc2ccccc2n1
InChIInChI=1S/C10H11N3/c1-7-6-10(7)13-11-8-4-2-3-5-9(8)12-13/h2-5,7,10H,6H2,1H3
InChIKeyJQWQXGMWJQWFRB-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Benzotriazole
CID 7220
1-Chlorobenzotriazole
CID 88761
2H-1,2,3-Benzotriazol-2-amine
CID 295514
2-Methyl-1,2,3-benzotriazole
CID 85498
sodium 1H-benzotriazolide
CID 3517935
1H-Benzotriazole, potassium salt (1:1)
CID 11105616
N-butylbenzotriazol-1-amine
CID 155560451
2H-Benzotriazole, 2-phenyl-
CID 154096
2,5-Dimethyl-2H-benzo[d][1,2,3]triazole
CID 14835678
N-octylbenzotriazol-1-amine
CID 155519084
N-decylbenzotriazol-1-amine
CID 155532271
N-hexylbenzotriazol-1-amine
CID 155559982

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclopropyl)benzotriazole?
The IUPAC name of 2-(2-methylcyclopropyl)benzotriazole (CID 10678802) is 2-(2-methylcyclopropyl)benzotriazole.
What is the SMILES notation for 2-(2-methylcyclopropyl)benzotriazole?
The canonical SMILES for 2-(2-methylcyclopropyl)benzotriazole is CC1CC1n1nc2ccccc2n1.
What is the InChIKey of 2-(2-methylcyclopropyl)benzotriazole?
The InChIKey is JQWQXGMWJQWFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-7-6-10(7)13-11-8-4-2-3-5-9(8)12-13/h2-5,7,10H,6H2,1H3.
What are the key properties of 2-(2-methylcyclopropyl)benzotriazole?
2-(2-methylcyclopropyl)benzotriazole has a molecular weight of 173.22 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclopropyl)benzotriazole is sourced from PubChem (CID 10678802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).