1-(benzylideneamino)indazol-3-amine

C14H12N4 — CID 23246421

IUPAC1-(benzylideneamino)indazol-3-amine
SMILESNc1nn(N=Cc2ccccc2)c2ccccc12
InChIInChI=1S/C14H12N4/c15-14-12-8-4-5-9-13(12)18(17-14)16-10-11-6-2-1-3-7-11/h1-10H,(H2,15,17)
InChIKeyWGFQQPKYCWCYAO-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.50
Rot. Bonds2

About 1-(benzylideneamino)indazol-3-amine

1-(benzylideneamino)indazol-3-amine (PubChem CID 23246421) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-(benzylideneamino)indazol-3-amine.

Molecular Properties

Compound Name1-(benzylideneamino)indazol-3-amine
PubChem CID23246421
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name1-(benzylideneamino)indazol-3-amine
SMILESNc1nn(N=Cc2ccccc2)c2ccccc12
InChIInChI=1S/C14H12N4/c15-14-12-8-4-5-9-13(12)18(17-14)16-10-11-6-2-1-3-7-11/h1-10H,(H2,15,17)
InChIKeyWGFQQPKYCWCYAO-UHFFFAOYSA-N
XLogP2.50
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(benzylideneamino)indazol-3-amine?
The IUPAC name of 1-(benzylideneamino)indazol-3-amine (CID 23246421) is 1-(benzylideneamino)indazol-3-amine.
What is the SMILES notation for 1-(benzylideneamino)indazol-3-amine?
The canonical SMILES for 1-(benzylideneamino)indazol-3-amine is Nc1nn(N=Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-(benzylideneamino)indazol-3-amine?
The InChIKey is WGFQQPKYCWCYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c15-14-12-8-4-5-9-13(12)18(17-14)16-10-11-6-2-1-3-7-11/h1-10H,(H2,15,17).
What are the key properties of 1-(benzylideneamino)indazol-3-amine?
1-(benzylideneamino)indazol-3-amine has a molecular weight of 236.28 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylideneamino)indazol-3-amine is sourced from PubChem (CID 23246421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).