2-(pyridin-3-ylmethyl)benzotriazole

C12H10N4 — CID 91308054

IUPAC2-(pyridin-3-ylmethyl)benzotriazole
SMILESc1cncc(Cn2nc3ccccc3n2)c1
InChIInChI=1S/C12H10N4/c1-2-6-12-11(5-1)14-16(15-12)9-10-4-3-7-13-8-10/h1-8H,9H2
InChIKeyOKBVYJBXLMSTRH-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.87
Rot. Bonds2

About 2-(pyridin-3-ylmethyl)benzotriazole

2-(pyridin-3-ylmethyl)benzotriazole (PubChem CID 91308054) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethyl)benzotriazole.

Molecular Properties

Compound Name2-(pyridin-3-ylmethyl)benzotriazole
PubChem CID91308054
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name2-(pyridin-3-ylmethyl)benzotriazole
SMILESc1cncc(Cn2nc3ccccc3n2)c1
InChIInChI=1S/C12H10N4/c1-2-6-12-11(5-1)14-16(15-12)9-10-4-3-7-13-8-10/h1-8H,9H2
InChIKeyOKBVYJBXLMSTRH-UHFFFAOYSA-N
XLogP1.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethyl)benzotriazole?
The IUPAC name of 2-(pyridin-3-ylmethyl)benzotriazole (CID 91308054) is 2-(pyridin-3-ylmethyl)benzotriazole.
What is the SMILES notation for 2-(pyridin-3-ylmethyl)benzotriazole?
The canonical SMILES for 2-(pyridin-3-ylmethyl)benzotriazole is c1cncc(Cn2nc3ccccc3n2)c1.
What is the InChIKey of 2-(pyridin-3-ylmethyl)benzotriazole?
The InChIKey is OKBVYJBXLMSTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-2-6-12-11(5-1)14-16(15-12)9-10-4-3-7-13-8-10/h1-8H,9H2.
What are the key properties of 2-(pyridin-3-ylmethyl)benzotriazole?
2-(pyridin-3-ylmethyl)benzotriazole has a molecular weight of 210.24 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethyl)benzotriazole is sourced from PubChem (CID 91308054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).