3-amino-N-hydrazinylidenebenzenecarboximidamide

C7H9N5 — CID 123350949

IUPAC3-amino-N-hydrazinylidenebenzenecarboximidamide
SMILES[H]/N=C(\N=N\N)c1cccc(N)c1
InChIInChI=1S/C7H9N5/c8-6-3-1-2-5(4-6)7(9)11-12-10/h1-4H,8H2,(H3,9,10,11)
InChIKeyWHRVIBNCAMOSRO-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.92
Rot. Bonds1

About 3-amino-N-hydrazinylidenebenzenecarboximidamide

3-amino-N-hydrazinylidenebenzenecarboximidamide (PubChem CID 123350949) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-amino-N-hydrazinylidenebenzenecarboximidamide.

Molecular Properties

Compound Name3-amino-N-hydrazinylidenebenzenecarboximidamide
PubChem CID123350949
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name3-amino-N-hydrazinylidenebenzenecarboximidamide
SMILES[H]/N=C(\N=N\N)c1cccc(N)c1
InChIInChI=1S/C7H9N5/c8-6-3-1-2-5(4-6)7(9)11-12-10/h1-4H,8H2,(H3,9,10,11)
InChIKeyWHRVIBNCAMOSRO-UHFFFAOYSA-N
XLogP0.92
TPSA100.61 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(benzylamino)-N-hydrazinylidenebenzenecarboximidamide
CID 142938740
4-ethyl-N-hydrazinylidenebenzenecarboximidamide
CID 89361259
N-hydrazinylidene-3-[(E)-2-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]benzenecarboximidamide
CID 142083881
S-[2-(3-aminophenyl)-2-iminoethyl]thiohydroxylamine
CID 123209239
3-(3-phenylbenzenecarboximidoyl)aniline
CID 145441675
N-hydrazinylidene-3-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide
CID 143029810
[amino-(3-aminophenyl)methylidene]azanium
CID 6931095
3-[(E)-2-(3-aminophenyl)-1,2-diphenylethenyl]aniline
CID 101105697
(3-aminobenzoyl)azanium
CID 142343873
3-[1-(3-aminophenyl)-2,2-diphenylethenyl]aniline
CID 10428749
3-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 76973010
9-[(2-chlorophenyl)methyl]-N-hydrazinylidenecarbazole-3-carboximidamide
CID 142223725

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hydrazinylidenebenzenecarboximidamide?
The IUPAC name of 3-amino-N-hydrazinylidenebenzenecarboximidamide (CID 123350949) is 3-amino-N-hydrazinylidenebenzenecarboximidamide.
What is the SMILES notation for 3-amino-N-hydrazinylidenebenzenecarboximidamide?
The canonical SMILES for 3-amino-N-hydrazinylidenebenzenecarboximidamide is [H]/N=C(\N=N\N)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-hydrazinylidenebenzenecarboximidamide?
The InChIKey is WHRVIBNCAMOSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c8-6-3-1-2-5(4-6)7(9)11-12-10/h1-4H,8H2,(H3,9,10,11).
What are the key properties of 3-amino-N-hydrazinylidenebenzenecarboximidamide?
3-amino-N-hydrazinylidenebenzenecarboximidamide has a molecular weight of 163.18 g/mol, XLogP of 0.92, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hydrazinylidenebenzenecarboximidamide is sourced from PubChem (CID 123350949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).