5-chloro-2-[1-(2H-tetrazol-5-yl)ethylamino]benzonitrile

C10H9ClN6 — CID 62495199

IUPAC5-chloro-2-[1-(2H-tetrazol-5-yl)ethylamino]benzonitrile
SMILESCC(Nc1ccc(Cl)cc1C#N)c1nn[nH]n1
InChIInChI=1S/C10H9ClN6/c1-6(10-14-16-17-15-10)13-9-3-2-8(11)4-7(9)5-12/h2-4,6,13H,1H3,(H,14,15,16,17)
InChIKeyCHYMMEUZMSWRFE-UHFFFAOYSA-N
MW248.68 g/mol
LogP1.90
Rot. Bonds3

About 5-chloro-2-[1-(2H-tetrazol-5-yl)ethylamino]benzonitrile

5-chloro-2-[1-(2H-tetrazol-5-yl)ethylamino]benzonitrile (PubChem CID 62495199) has the molecular formula C10H9ClN6 and a molecular weight of 248.68 g/mol. Its IUPAC name is 5-chloro-2-[1-(2H-tetrazol-5-yl)ethylamino]benzonitrile.

Molecular Properties

Compound Name5-chloro-2-[1-(2H-tetrazol-5-yl)ethylamino]benzonitrile
PubChem CID62495199
Molecular FormulaC10H9ClN6
Molecular Weight248.68 g/mol
Exact Mass248.06
IUPAC Name5-chloro-2-[1-(2H-tetrazol-5-yl)ethylamino]benzonitrile
SMILESCC(Nc1ccc(Cl)cc1C#N)c1nn[nH]n1
InChIInChI=1S/C10H9ClN6/c1-6(10-14-16-17-15-10)13-9-3-2-8(11)4-7(9)5-12/h2-4,6,13H,1H3,(H,14,15,16,17)
InChIKeyCHYMMEUZMSWRFE-UHFFFAOYSA-N
XLogP1.90
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.68
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-[1-(4-methylphenyl)ethylamino]benzonitrile
CID 55209456
4-nitro-3-[1-(2H-tetrazol-5-yl)ethylamino]benzonitrile
CID 104713608
2-(but-3-yn-2-ylamino)-5-chlorobenzonitrile
CID 114417378
5-chloro-2-[1-(furan-2-yl)ethylamino]benzonitrile
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2-[1-(3-aminophenyl)ethylamino]-5-chlorobenzonitrile
CID 62494887
5-chloro-2-[1-(1-phenyltriazol-4-yl)ethylamino]benzonitrile
CID 133365505
6-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-2-amine
CID 106194451
4-chloro-5-fluoro-2-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]aniline
CID 66079339
4-chloro-2-cyano-N-[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2H-tetrazol-5-yl)propyl]benzenesulfonamide
CID 164916689
5-chloro-2-(2-hydroxypropylamino)benzonitrile
CID 62493477
5-bromo-2-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]aniline
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2-(4-chloro-2-cyanoanilino)-N-ethylpropanamide
CID 62494182

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-(2H-tetrazol-5-yl)ethylamino]benzonitrile?
The IUPAC name of 5-chloro-2-[1-(2H-tetrazol-5-yl)ethylamino]benzonitrile (CID 62495199) is 5-chloro-2-[1-(2H-tetrazol-5-yl)ethylamino]benzonitrile.
What is the SMILES notation for 5-chloro-2-[1-(2H-tetrazol-5-yl)ethylamino]benzonitrile?
The canonical SMILES for 5-chloro-2-[1-(2H-tetrazol-5-yl)ethylamino]benzonitrile is CC(Nc1ccc(Cl)cc1C#N)c1nn[nH]n1.
What is the InChIKey of 5-chloro-2-[1-(2H-tetrazol-5-yl)ethylamino]benzonitrile?
The InChIKey is CHYMMEUZMSWRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN6/c1-6(10-14-16-17-15-10)13-9-3-2-8(11)4-7(9)5-12/h2-4,6,13H,1H3,(H,14,15,16,17).
What are the key properties of 5-chloro-2-[1-(2H-tetrazol-5-yl)ethylamino]benzonitrile?
5-chloro-2-[1-(2H-tetrazol-5-yl)ethylamino]benzonitrile has a molecular weight of 248.68 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-(2H-tetrazol-5-yl)ethylamino]benzonitrile is sourced from PubChem (CID 62495199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).