1-[4-(benzotriazol-1-yl)phenyl]-N-methylmethanimine

C14H12N4 — CID 134591552

IUPAC1-[4-(benzotriazol-1-yl)phenyl]-N-methylmethanimine
SMILESC/N=C/c1ccc(-n2nnc3ccccc32)cc1
InChIInChI=1S/C14H12N4/c1-15-10-11-6-8-12(9-7-11)18-14-5-3-2-4-13(14)16-17-18/h2-10H,1H3/b15-10+
InChIKeyMZUQKKIZTDWKKV-XNTDXEJSSA-N
MW236.28 g/mol
LogP2.47
Rot. Bonds2

About 1-[4-(benzotriazol-1-yl)phenyl]-N-methylmethanimine

1-[4-(benzotriazol-1-yl)phenyl]-N-methylmethanimine (PubChem CID 134591552) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-[4-(benzotriazol-1-yl)phenyl]-N-methylmethanimine.

Molecular Properties

Compound Name1-[4-(benzotriazol-1-yl)phenyl]-N-methylmethanimine
PubChem CID134591552
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name1-[4-(benzotriazol-1-yl)phenyl]-N-methylmethanimine
SMILESC/N=C/c1ccc(-n2nnc3ccccc32)cc1
InChIInChI=1S/C14H12N4/c1-15-10-11-6-8-12(9-7-11)18-14-5-3-2-4-13(14)16-17-18/h2-10H,1H3/b15-10+
InChIKeyMZUQKKIZTDWKKV-XNTDXEJSSA-N
XLogP2.47
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-isocyanatophenyl)benzotriazole
CID 169354613
1-[4-(benzenesulfonyl)phenyl]benzotriazole
CID 23907838
1-(4-imidazol-1-ylphenyl)benzotriazole
CID 71124200
1-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]benzotriazole
CID 118331748
1-(6-ethyl-3-pyridinyl)benzotriazole
CID 71251424
3-[3-(benzotriazol-1-yl)phenyl]prop-2-enoic acid
CID 77013865
[4-(benzotriazol-1-yl)phenyl]-cyclopropylmethanone
CID 155516115
1-(3,4,5-trimethoxyphenyl)benzotriazole
CID 175194463
3-(benzotriazol-1-yl)benzoic acid
CID 63942082
1,6-diphenylbenzotriazole
CID 162716973
N-[(Z)-4-[5-(benzotriazol-1-yl)-2-pyridinyl]but-2-en-2-yl]methanimine
CID 166713871
4-(benzotriazol-1-yl)-2-[[(1E)-4-methylhexa-1,5-dienyl]iminomethyl]aniline
CID 126763679

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzotriazol-1-yl)phenyl]-N-methylmethanimine?
The IUPAC name of 1-[4-(benzotriazol-1-yl)phenyl]-N-methylmethanimine (CID 134591552) is 1-[4-(benzotriazol-1-yl)phenyl]-N-methylmethanimine.
What is the SMILES notation for 1-[4-(benzotriazol-1-yl)phenyl]-N-methylmethanimine?
The canonical SMILES for 1-[4-(benzotriazol-1-yl)phenyl]-N-methylmethanimine is C/N=C/c1ccc(-n2nnc3ccccc32)cc1.
What is the InChIKey of 1-[4-(benzotriazol-1-yl)phenyl]-N-methylmethanimine?
The InChIKey is MZUQKKIZTDWKKV-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H12N4/c1-15-10-11-6-8-12(9-7-11)18-14-5-3-2-4-13(14)16-17-18/h2-10H,1H3/b15-10+.
What are the key properties of 1-[4-(benzotriazol-1-yl)phenyl]-N-methylmethanimine?
1-[4-(benzotriazol-1-yl)phenyl]-N-methylmethanimine has a molecular weight of 236.28 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzotriazol-1-yl)phenyl]-N-methylmethanimine is sourced from PubChem (CID 134591552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).