4,4-dimethyl-5-[4-(tetrazol-1-yl)anilino]pentanenitrile

C14H18N6 — CID 115743436

IUPAC4,4-dimethyl-5-[4-(tetrazol-1-yl)anilino]pentanenitrile
SMILESCC(C)(CCC#N)CNc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H18N6/c1-14(2,8-3-9-15)10-16-12-4-6-13(7-5-12)20-11-17-18-19-20/h4-7,11,16H,3,8,10H2,1-2H3
InChIKeyACHZAKDHPJQQLU-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.40
Rot. Bonds6

About 4,4-dimethyl-5-[4-(tetrazol-1-yl)anilino]pentanenitrile

4,4-dimethyl-5-[4-(tetrazol-1-yl)anilino]pentanenitrile (PubChem CID 115743436) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 4,4-dimethyl-5-[4-(tetrazol-1-yl)anilino]pentanenitrile.

Molecular Properties

Compound Name4,4-dimethyl-5-[4-(tetrazol-1-yl)anilino]pentanenitrile
PubChem CID115743436
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name4,4-dimethyl-5-[4-(tetrazol-1-yl)anilino]pentanenitrile
SMILESCC(C)(CCC#N)CNc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H18N6/c1-14(2,8-3-9-15)10-16-12-4-6-13(7-5-12)20-11-17-18-19-20/h4-7,11,16H,3,8,10H2,1-2H3
InChIKeyACHZAKDHPJQQLU-UHFFFAOYSA-N
XLogP2.40
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-2-[[4-(tetrazol-1-yl)anilino]methyl]butan-1-ol
CID 81411606
N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline
CID 28621711
N-[4-(tetrazol-1-yl)phenyl]formamide
CID 64992133
2-[4-(tetrazol-1-yl)phenoxy]acetonitrile
CID 8566130
tert-butyl N-[2-[4-(tetrazol-1-yl)anilino]ethyl]carbamate
CID 103818149
4-[[4-(tetrazol-1-yl)anilino]methyl]phenol
CID 28621639
N-[(5-ethylfuran-2-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62346303
N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62741215
N-[(2-ethylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 115762701
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 28781201
N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 55114541
N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide
CID 65109439

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[4-(tetrazol-1-yl)anilino]pentanenitrile?
The IUPAC name of 4,4-dimethyl-5-[4-(tetrazol-1-yl)anilino]pentanenitrile (CID 115743436) is 4,4-dimethyl-5-[4-(tetrazol-1-yl)anilino]pentanenitrile.
What is the SMILES notation for 4,4-dimethyl-5-[4-(tetrazol-1-yl)anilino]pentanenitrile?
The canonical SMILES for 4,4-dimethyl-5-[4-(tetrazol-1-yl)anilino]pentanenitrile is CC(C)(CCC#N)CNc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 4,4-dimethyl-5-[4-(tetrazol-1-yl)anilino]pentanenitrile?
The InChIKey is ACHZAKDHPJQQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-14(2,8-3-9-15)10-16-12-4-6-13(7-5-12)20-11-17-18-19-20/h4-7,11,16H,3,8,10H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-[4-(tetrazol-1-yl)anilino]pentanenitrile?
4,4-dimethyl-5-[4-(tetrazol-1-yl)anilino]pentanenitrile has a molecular weight of 270.34 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[4-(tetrazol-1-yl)anilino]pentanenitrile is sourced from PubChem (CID 115743436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).