1-[phenyl(pyridin-2-yl)methyl]benzotriazole

C18H14N4 — CID 44890324

IUPAC1-[phenyl(pyridin-2-yl)methyl]benzotriazole
SMILESc1ccc(C(c2ccccn2)n2nnc3ccccc32)cc1
InChIInChI=1S/C18H14N4/c1-2-8-14(9-3-1)18(16-11-6-7-13-19-16)22-17-12-5-4-10-15(17)20-21-22/h1-13,18H
InChIKeyZXSMLIGGIOIPQJ-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.46
Rot. Bonds3

About 1-[phenyl(pyridin-2-yl)methyl]benzotriazole

1-[phenyl(pyridin-2-yl)methyl]benzotriazole (PubChem CID 44890324) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[phenyl(pyridin-2-yl)methyl]benzotriazole.

Molecular Properties

Compound Name1-[phenyl(pyridin-2-yl)methyl]benzotriazole
PubChem CID44890324
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name1-[phenyl(pyridin-2-yl)methyl]benzotriazole
SMILESc1ccc(C(c2ccccn2)n2nnc3ccccc32)cc1
InChIInChI=1S/C18H14N4/c1-2-8-14(9-3-1)18(16-11-6-7-13-19-16)22-17-12-5-4-10-15(17)20-21-22/h1-13,18H
InChIKeyZXSMLIGGIOIPQJ-UHFFFAOYSA-N
XLogP3.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[benzotriazol-1-yl(phenyl)methyl]pyridin-2-amine
CID 5133674
4-[benzotriazol-1-yl(phenyl)methyl]benzonitrile
CID 3409911
1-(1-pyridin-2-ylpentyl)benzotriazole
CID 3562053
1-[phenoxy(phenyl)methyl]benzotriazole
CID 3778951
1-(1,2-diphenylethyl)benzotriazole
CID 3713183
3,5-dimethyl-1-[phenyl(pyridin-2-yl)methyl]piperazine
CID 63862974
1-(benzotriazol-1-yl)-2-methyl-N-(1-phenylethyl)propan-1-amine
CID 3726579
1-[phenyl(pyridin-2-yl)methyl]piperidin-4-amine
CID 43130878
N-[benzotriazol-1-yl-(4-bromophenyl)methyl]pyridin-2-amine
CID 6611324
4-[benzimidazol-1-yl(pyridin-2-yl)methyl]benzoic acid
CID 91555772
4-chloro-1-[phenyl(pyridin-2-yl)methyl]pyrrolidin-2-one
CID 168687083
N-[(R)-benzotriazol-1-yl(phenyl)methyl]acetamide
CID 785376

Frequently Asked Questions

What is the IUPAC name of 1-[phenyl(pyridin-2-yl)methyl]benzotriazole?
The IUPAC name of 1-[phenyl(pyridin-2-yl)methyl]benzotriazole (CID 44890324) is 1-[phenyl(pyridin-2-yl)methyl]benzotriazole.
What is the SMILES notation for 1-[phenyl(pyridin-2-yl)methyl]benzotriazole?
The canonical SMILES for 1-[phenyl(pyridin-2-yl)methyl]benzotriazole is c1ccc(C(c2ccccn2)n2nnc3ccccc32)cc1.
What is the InChIKey of 1-[phenyl(pyridin-2-yl)methyl]benzotriazole?
The InChIKey is ZXSMLIGGIOIPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-2-8-14(9-3-1)18(16-11-6-7-13-19-16)22-17-12-5-4-10-15(17)20-21-22/h1-13,18H.
What are the key properties of 1-[phenyl(pyridin-2-yl)methyl]benzotriazole?
1-[phenyl(pyridin-2-yl)methyl]benzotriazole has a molecular weight of 286.34 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[phenyl(pyridin-2-yl)methyl]benzotriazole is sourced from PubChem (CID 44890324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).