3-amino-2-hydrazinylbenzonitrile

C7H8N4 — CID 119009873

IUPAC3-amino-2-hydrazinylbenzonitrile
SMILESN#Cc1cccc(N)c1NN
InChIInChI=1S/C7H8N4/c8-4-5-2-1-3-6(9)7(5)11-10/h1-3,11H,9-10H2
InChIKeyUCFBJNZTYQAAMA-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.43
Rot. Bonds1

About 3-amino-2-hydrazinylbenzonitrile

3-amino-2-hydrazinylbenzonitrile (PubChem CID 119009873) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 3-amino-2-hydrazinylbenzonitrile.

Molecular Properties

Compound Name3-amino-2-hydrazinylbenzonitrile
PubChem CID119009873
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name3-amino-2-hydrazinylbenzonitrile
SMILESN#Cc1cccc(N)c1NN
InChIInChI=1S/C7H8N4/c8-4-5-2-1-3-6(9)7(5)11-10/h1-3,11H,9-10H2
InChIKeyUCFBJNZTYQAAMA-UHFFFAOYSA-N
XLogP0.43
TPSA87.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-aminobenzonitrile;methane
CID 175308873
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2-(2-amino-6-methylanilino)benzonitrile
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2-hydrazinyl-3-methylaniline
CID 118990747
2-(2-aminoanilino)-3-methoxybenzonitrile
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2-(4-amino-3-methylanilino)-3-methoxybenzonitrile
CID 107466454
9-aminodibenzothiophene-1-carbonitrile
CID 146518080
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CID 163217042
N-(2,6-dicyanophenyl)acetamide
CID 151583122
2-[(4-amino-1,3-benzoxazol-2-yl)amino]-3-methoxybenzonitrile
CID 107466505
naphthalene-1-carbonitrile
CID 101170224
3-aminobenzene-1,2-dicarbonitrile;4-aminobenzene-1,2-dicarbonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydrazinylbenzonitrile?
The IUPAC name of 3-amino-2-hydrazinylbenzonitrile (CID 119009873) is 3-amino-2-hydrazinylbenzonitrile.
What is the SMILES notation for 3-amino-2-hydrazinylbenzonitrile?
The canonical SMILES for 3-amino-2-hydrazinylbenzonitrile is N#Cc1cccc(N)c1NN.
What is the InChIKey of 3-amino-2-hydrazinylbenzonitrile?
The InChIKey is UCFBJNZTYQAAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c8-4-5-2-1-3-6(9)7(5)11-10/h1-3,11H,9-10H2.
What are the key properties of 3-amino-2-hydrazinylbenzonitrile?
3-amino-2-hydrazinylbenzonitrile has a molecular weight of 148.17 g/mol, XLogP of 0.43, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydrazinylbenzonitrile is sourced from PubChem (CID 119009873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).