2-methyl-3-pyridin-2-yl-1H-benzotriazole

C12H12N4 — CID 135295489

IUPAC2-methyl-3-pyridin-2-yl-1H-benzotriazole
SMILESCN1Nc2ccccc2N1c1ccccn1
InChIInChI=1S/C12H12N4/c1-15-14-10-6-2-3-7-11(10)16(15)12-8-4-5-9-13-12/h2-9,14H,1H3
InChIKeyYJRLDGWXQAXMLI-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.41
Rot. Bonds1

About 2-methyl-3-pyridin-2-yl-1H-benzotriazole

2-methyl-3-pyridin-2-yl-1H-benzotriazole (PubChem CID 135295489) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-methyl-3-pyridin-2-yl-1H-benzotriazole.

Molecular Properties

Compound Name2-methyl-3-pyridin-2-yl-1H-benzotriazole
PubChem CID135295489
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name2-methyl-3-pyridin-2-yl-1H-benzotriazole
SMILESCN1Nc2ccccc2N1c1ccccn1
InChIInChI=1S/C12H12N4/c1-15-14-10-6-2-3-7-11(10)16(15)12-8-4-5-9-13-12/h2-9,14H,1H3
InChIKeyYJRLDGWXQAXMLI-UHFFFAOYSA-N
XLogP2.41
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyridin-2-yl-1H-benzotriazole?
The IUPAC name of 2-methyl-3-pyridin-2-yl-1H-benzotriazole (CID 135295489) is 2-methyl-3-pyridin-2-yl-1H-benzotriazole.
What is the SMILES notation for 2-methyl-3-pyridin-2-yl-1H-benzotriazole?
The canonical SMILES for 2-methyl-3-pyridin-2-yl-1H-benzotriazole is CN1Nc2ccccc2N1c1ccccn1.
What is the InChIKey of 2-methyl-3-pyridin-2-yl-1H-benzotriazole?
The InChIKey is YJRLDGWXQAXMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-15-14-10-6-2-3-7-11(10)16(15)12-8-4-5-9-13-12/h2-9,14H,1H3.
What are the key properties of 2-methyl-3-pyridin-2-yl-1H-benzotriazole?
2-methyl-3-pyridin-2-yl-1H-benzotriazole has a molecular weight of 212.26 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyridin-2-yl-1H-benzotriazole is sourced from PubChem (CID 135295489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).