3-[[2-(tetrazol-1-yl)anilino]methyl]benzonitrile

C15H12N6 — CID 43702183

IUPAC3-[[2-(tetrazol-1-yl)anilino]methyl]benzonitrile
SMILESN#Cc1cccc(CNc2ccccc2-n2cnnn2)c1
InChIInChI=1S/C15H12N6/c16-9-12-4-3-5-13(8-12)10-17-14-6-1-2-7-15(14)21-11-18-19-20-21/h1-8,11,17H,10H2
InChIKeyJHTYOYQQOHHZDJ-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.15
Rot. Bonds4

About 3-[[2-(tetrazol-1-yl)anilino]methyl]benzonitrile

3-[[2-(tetrazol-1-yl)anilino]methyl]benzonitrile (PubChem CID 43702183) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-[[2-(tetrazol-1-yl)anilino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[2-(tetrazol-1-yl)anilino]methyl]benzonitrile
PubChem CID43702183
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name3-[[2-(tetrazol-1-yl)anilino]methyl]benzonitrile
SMILESN#Cc1cccc(CNc2ccccc2-n2cnnn2)c1
InChIInChI=1S/C15H12N6/c16-9-12-4-3-5-13(8-12)10-17-14-6-1-2-7-15(14)21-11-18-19-20-21/h1-8,11,17H,10H2
InChIKeyJHTYOYQQOHHZDJ-UHFFFAOYSA-N
XLogP2.15
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62759060
N-(cyclopenten-1-ylmethyl)-2-(tetrazol-1-yl)aniline
CID 146144127
3-[[(6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]methyl]benzonitrile
CID 176504914
N-[(4-fluoro-2-methylphenyl)methyl]-2-(tetrazol-1-yl)aniline
CID 62135429
N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline
CID 43702180
5-bromo-2-[(3-cyanophenyl)methylamino]benzonitrile
CID 82708745
3-[(2-amino-3-chloroanilino)methyl]benzonitrile
CID 113458616
3-[(3-bromo-2-methylanilino)methyl]benzonitrile
CID 103731134
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 167855564
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 115749259
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 43702314
5-[[2-(tetrazol-1-yl)anilino]methyl]thiophene-3-carboxamide
CID 79611373

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(tetrazol-1-yl)anilino]methyl]benzonitrile?
The IUPAC name of 3-[[2-(tetrazol-1-yl)anilino]methyl]benzonitrile (CID 43702183) is 3-[[2-(tetrazol-1-yl)anilino]methyl]benzonitrile.
What is the SMILES notation for 3-[[2-(tetrazol-1-yl)anilino]methyl]benzonitrile?
The canonical SMILES for 3-[[2-(tetrazol-1-yl)anilino]methyl]benzonitrile is N#Cc1cccc(CNc2ccccc2-n2cnnn2)c1.
What is the InChIKey of 3-[[2-(tetrazol-1-yl)anilino]methyl]benzonitrile?
The InChIKey is JHTYOYQQOHHZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6/c16-9-12-4-3-5-13(8-12)10-17-14-6-1-2-7-15(14)21-11-18-19-20-21/h1-8,11,17H,10H2.
What are the key properties of 3-[[2-(tetrazol-1-yl)anilino]methyl]benzonitrile?
3-[[2-(tetrazol-1-yl)anilino]methyl]benzonitrile has a molecular weight of 276.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(tetrazol-1-yl)anilino]methyl]benzonitrile is sourced from PubChem (CID 43702183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).