3-hydrazinylbenzonitrile chloride

C7H7ClN3- — CID 18677448

IUPAC3-hydrazinylbenzonitrile chloride
SMILESN#Cc1cccc(NN)c1.[Cl-]
InChIInChI=1S/C7H7N3.ClH/c8-5-6-2-1-3-7(4-6)10-9;/h1-4,10H,9H2;1H/p-1
InChIKeyOLRXCKFWRROJFZ-UHFFFAOYSA-M
MW168.61 g/mol
LogP-2.15
Rot. Bonds1

About 3-hydrazinylbenzonitrile chloride

3-hydrazinylbenzonitrile chloride (PubChem CID 18677448) has the molecular formula C7H7ClN3- and a molecular weight of 168.61 g/mol. Its IUPAC name is 3-hydrazinylbenzonitrile chloride.

Molecular Properties

Compound Name3-hydrazinylbenzonitrile chloride
PubChem CID18677448
Molecular FormulaC7H7ClN3-
Molecular Weight168.61 g/mol
Exact Mass168.03
IUPAC Name3-hydrazinylbenzonitrile chloride
SMILESN#Cc1cccc(NN)c1.[Cl-]
InChIInChI=1S/C7H7N3.ClH/c8-5-6-2-1-3-7(4-6)10-9;/h1-4,10H,9H2;1H/p-1
InChIKeyOLRXCKFWRROJFZ-UHFFFAOYSA-M
XLogP-2.15
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.61
LogP ≤ 5-2.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-hydrazinyl-2-pyridinyl)benzonitrile
CID 102825226
3-(sulfanylamino)benzonitrile
CID 142255367
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]benzonitrile
CID 80927950
N-(3-cyanophenyl)-2-hydrazinylbenzamide
CID 62248854
3-[3-(aminomethyl)anilino]benzonitrile
CID 117027344
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
3-(1-aminopropan-2-ylamino)benzonitrile
CID 82503421
3-(4-aminobutylamino)benzonitrile
CID 94253346
3-[(4-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile
CID 79260472
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 80969827
1-(3-cyanophenyl)-3-pyridin-4-ylurea
CID 110706525
3-(2,2-difluoroethylamino)benzonitrile
CID 60922387

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinylbenzonitrile chloride?
The IUPAC name of 3-hydrazinylbenzonitrile chloride (CID 18677448) is 3-hydrazinylbenzonitrile chloride.
What is the SMILES notation for 3-hydrazinylbenzonitrile chloride?
The canonical SMILES for 3-hydrazinylbenzonitrile chloride is N#Cc1cccc(NN)c1.[Cl-].
What is the InChIKey of 3-hydrazinylbenzonitrile chloride?
The InChIKey is OLRXCKFWRROJFZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7N3.ClH/c8-5-6-2-1-3-7(4-6)10-9;/h1-4,10H,9H2;1H/p-1.
What are the key properties of 3-hydrazinylbenzonitrile chloride?
3-hydrazinylbenzonitrile chloride has a molecular weight of 168.61 g/mol, XLogP of -2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinylbenzonitrile chloride is sourced from PubChem (CID 18677448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).