1-methyl-5-(2-methylpropyl)benzotriazole

C11H15N3 — CID 59731307

IUPAC1-methyl-5-(2-methylpropyl)benzotriazole
SMILESCC(C)Cc1ccc2c(c1)nnn2C
InChIInChI=1S/C11H15N3/c1-8(2)6-9-4-5-11-10(7-9)12-13-14(11)3/h4-5,7-8H,6H2,1-3H3
InChIKeyHAUPWHISFIDFJX-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.17
Rot. Bonds2

About 1-methyl-5-(2-methylpropyl)benzotriazole

1-methyl-5-(2-methylpropyl)benzotriazole (PubChem CID 59731307) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-methyl-5-(2-methylpropyl)benzotriazole.

Molecular Properties

Compound Name1-methyl-5-(2-methylpropyl)benzotriazole
PubChem CID59731307
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1-methyl-5-(2-methylpropyl)benzotriazole
SMILESCC(C)Cc1ccc2c(c1)nnn2C
InChIInChI=1S/C11H15N3/c1-8(2)6-9-4-5-11-10(7-9)12-13-14(11)3/h4-5,7-8H,6H2,1-3H3
InChIKeyHAUPWHISFIDFJX-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methylpropyl)benzotriazole?
The IUPAC name of 1-methyl-5-(2-methylpropyl)benzotriazole (CID 59731307) is 1-methyl-5-(2-methylpropyl)benzotriazole.
What is the SMILES notation for 1-methyl-5-(2-methylpropyl)benzotriazole?
The canonical SMILES for 1-methyl-5-(2-methylpropyl)benzotriazole is CC(C)Cc1ccc2c(c1)nnn2C.
What is the InChIKey of 1-methyl-5-(2-methylpropyl)benzotriazole?
The InChIKey is HAUPWHISFIDFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-8(2)6-9-4-5-11-10(7-9)12-13-14(11)3/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 1-methyl-5-(2-methylpropyl)benzotriazole?
1-methyl-5-(2-methylpropyl)benzotriazole has a molecular weight of 189.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methylpropyl)benzotriazole is sourced from PubChem (CID 59731307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).