2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]benzonitrile

C16H11ClN6 — CID 2729593

IUPAC2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]benzonitrile
SMILESN#Cc1ccccc1NC=Cc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN6/c17-13-5-7-14(8-6-13)23-16(20-21-22-23)9-10-19-15-4-2-1-3-12(15)11-18/h1-10,19H
InChIKeyRIASBFADDXAFFC-UHFFFAOYSA-N
MW322.76 g/mol
LogP3.27
Rot. Bonds4

About 2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]benzonitrile

2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]benzonitrile (PubChem CID 2729593) has the molecular formula C16H11ClN6 and a molecular weight of 322.76 g/mol. Its IUPAC name is 2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]benzonitrile.

Molecular Properties

Compound Name2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]benzonitrile
PubChem CID2729593
Molecular FormulaC16H11ClN6
Molecular Weight322.76 g/mol
Exact Mass322.07
IUPAC Name2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]benzonitrile
SMILESN#Cc1ccccc1NC=Cc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN6/c17-13-5-7-14(8-6-13)23-16(20-21-22-23)9-10-19-15-4-2-1-3-12(15)11-18/h1-10,19H
InChIKeyRIASBFADDXAFFC-UHFFFAOYSA-N
XLogP3.27
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-[2-(1-naphthalen-2-yltetrazol-5-yl)ethenylamino]benzonitrile
CID 4175956
[2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]phenyl]-phenylmethanone
CID 2729156
[2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone
CID 10363707
methyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate
CID 10043795
4-bromo-N-[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]aniline
CID 5366938
N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-4-chloroaniline
CID 20786906
2-nitro-N-[2-(1-phenyltetrazol-5-yl)ethenyl]aniline
CID 2817361
N-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-2-methylaniline
CID 593987
4-chloro-2-fluoro-N-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]aniline
CID 5368531
1-[3-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
CID 20786923
2-[2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenylamino]benzoic acid
CID 74520995
1-[2-[[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
CID 10403670

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]benzonitrile?
The IUPAC name of 2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]benzonitrile (CID 2729593) is 2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]benzonitrile.
What is the SMILES notation for 2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]benzonitrile?
The canonical SMILES for 2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]benzonitrile is N#Cc1ccccc1NC=Cc1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]benzonitrile?
The InChIKey is RIASBFADDXAFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN6/c17-13-5-7-14(8-6-13)23-16(20-21-22-23)9-10-19-15-4-2-1-3-12(15)11-18/h1-10,19H.
What are the key properties of 2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]benzonitrile?
2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]benzonitrile has a molecular weight of 322.76 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]benzonitrile is sourced from PubChem (CID 2729593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).