1-(2H-pyridin-1-ylmethyl)benzotriazole

C12H12N4 — CID 53446690

IUPAC1-(2H-pyridin-1-ylmethyl)benzotriazole
SMILESC1=CCN(Cn2nnc3ccccc32)C=C1
InChIInChI=1S/C12H12N4/c1-4-8-15(9-5-1)10-16-12-7-3-2-6-11(12)13-14-16/h1-8H,9-10H2
InChIKeyZNPLOJPOKFITRO-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.77
Rot. Bonds2

About 1-(2H-pyridin-1-ylmethyl)benzotriazole

1-(2H-pyridin-1-ylmethyl)benzotriazole (PubChem CID 53446690) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-(2H-pyridin-1-ylmethyl)benzotriazole.

Molecular Properties

Compound Name1-(2H-pyridin-1-ylmethyl)benzotriazole
PubChem CID53446690
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name1-(2H-pyridin-1-ylmethyl)benzotriazole
SMILESC1=CCN(Cn2nnc3ccccc32)C=C1
InChIInChI=1S/C12H12N4/c1-4-8-15(9-5-1)10-16-12-7-3-2-6-11(12)13-14-16/h1-8H,9-10H2
InChIKeyZNPLOJPOKFITRO-UHFFFAOYSA-N
XLogP1.77
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-pyridin-1-ylmethyl)benzotriazole?
The IUPAC name of 1-(2H-pyridin-1-ylmethyl)benzotriazole (CID 53446690) is 1-(2H-pyridin-1-ylmethyl)benzotriazole.
What is the SMILES notation for 1-(2H-pyridin-1-ylmethyl)benzotriazole?
The canonical SMILES for 1-(2H-pyridin-1-ylmethyl)benzotriazole is C1=CCN(Cn2nnc3ccccc32)C=C1.
What is the InChIKey of 1-(2H-pyridin-1-ylmethyl)benzotriazole?
The InChIKey is ZNPLOJPOKFITRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-4-8-15(9-5-1)10-16-12-7-3-2-6-11(12)13-14-16/h1-8H,9-10H2.
What are the key properties of 1-(2H-pyridin-1-ylmethyl)benzotriazole?
1-(2H-pyridin-1-ylmethyl)benzotriazole has a molecular weight of 212.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-pyridin-1-ylmethyl)benzotriazole is sourced from PubChem (CID 53446690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).