4-chloro-2-[2-(1-naphthalen-2-yltetrazol-5-yl)ethenylamino]benzonitrile

C20H13ClN6 — CID 4175956

IUPAC4-chloro-2-[2-(1-naphthalen-2-yltetrazol-5-yl)ethenylamino]benzonitrile
SMILESN#Cc1ccc(Cl)cc1NC=Cc1nnnn1-c1ccc2ccccc2c1
InChIInChI=1S/C20H13ClN6/c21-17-7-5-16(13-22)19(12-17)23-10-9-20-24-25-26-27(20)18-8-6-14-3-1-2-4-15(14)11-18/h1-12,23H
InChIKeyNPBHVNZIDOZIOG-UHFFFAOYSA-N
MW372.82 g/mol
LogP4.42
Rot. Bonds4

About 4-chloro-2-[2-(1-naphthalen-2-yltetrazol-5-yl)ethenylamino]benzonitrile

4-chloro-2-[2-(1-naphthalen-2-yltetrazol-5-yl)ethenylamino]benzonitrile (PubChem CID 4175956) has the molecular formula C20H13ClN6 and a molecular weight of 372.82 g/mol. Its IUPAC name is 4-chloro-2-[2-(1-naphthalen-2-yltetrazol-5-yl)ethenylamino]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[2-(1-naphthalen-2-yltetrazol-5-yl)ethenylamino]benzonitrile
PubChem CID4175956
Molecular FormulaC20H13ClN6
Molecular Weight372.82 g/mol
Exact Mass372.09
IUPAC Name4-chloro-2-[2-(1-naphthalen-2-yltetrazol-5-yl)ethenylamino]benzonitrile
SMILESN#Cc1ccc(Cl)cc1NC=Cc1nnnn1-c1ccc2ccccc2c1
InChIInChI=1S/C20H13ClN6/c21-17-7-5-16(13-22)19(12-17)23-10-9-20-24-25-26-27(20)18-8-6-14-3-1-2-4-15(14)11-18/h1-12,23H
InChIKeyNPBHVNZIDOZIOG-UHFFFAOYSA-N
XLogP4.42
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]benzonitrile
CID 2729593
dimethyl-[(E)-2-(1-naphthalen-2-yltetrazol-5-yl)ethenyl]azanium
CID 7213326
[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
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
2,4-difluoro-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline
CID 625468
N-methyl-1-(1-naphthalen-2-yltetrazol-5-yl)methanamine
CID 55108826
2-[2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenylamino]benzoic acid
CID 74520995
5-chloro-3-(1-naphthalen-2-yltetrazol-5-yl)-1H-indole
CID 735869
2-chloronaphthalene;naphthalene
CID 159169098

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(1-naphthalen-2-yltetrazol-5-yl)ethenylamino]benzonitrile?
The IUPAC name of 4-chloro-2-[2-(1-naphthalen-2-yltetrazol-5-yl)ethenylamino]benzonitrile (CID 4175956) is 4-chloro-2-[2-(1-naphthalen-2-yltetrazol-5-yl)ethenylamino]benzonitrile.
What is the SMILES notation for 4-chloro-2-[2-(1-naphthalen-2-yltetrazol-5-yl)ethenylamino]benzonitrile?
The canonical SMILES for 4-chloro-2-[2-(1-naphthalen-2-yltetrazol-5-yl)ethenylamino]benzonitrile is N#Cc1ccc(Cl)cc1NC=Cc1nnnn1-c1ccc2ccccc2c1.
What is the InChIKey of 4-chloro-2-[2-(1-naphthalen-2-yltetrazol-5-yl)ethenylamino]benzonitrile?
The InChIKey is NPBHVNZIDOZIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN6/c21-17-7-5-16(13-22)19(12-17)23-10-9-20-24-25-26-27(20)18-8-6-14-3-1-2-4-15(14)11-18/h1-12,23H.
What are the key properties of 4-chloro-2-[2-(1-naphthalen-2-yltetrazol-5-yl)ethenylamino]benzonitrile?
4-chloro-2-[2-(1-naphthalen-2-yltetrazol-5-yl)ethenylamino]benzonitrile has a molecular weight of 372.82 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(1-naphthalen-2-yltetrazol-5-yl)ethenylamino]benzonitrile is sourced from PubChem (CID 4175956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).