3-N-phenyl-1H-indazole-3,5-diamine

C13H12N4 — CID 89172388

IUPAC3-N-phenyl-1H-indazole-3,5-diamine
SMILESNc1ccc2[nH]nc(Nc3ccccc3)c2c1
InChIInChI=1S/C13H12N4/c14-9-6-7-12-11(8-9)13(17-16-12)15-10-4-2-1-3-5-10/h1-8H,14H2,(H2,15,16,17)
InChIKeySSTUKIRKGGVTDU-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.89
Rot. Bonds2

About 3-N-phenyl-1H-indazole-3,5-diamine

3-N-phenyl-1H-indazole-3,5-diamine (PubChem CID 89172388) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 3-N-phenyl-1H-indazole-3,5-diamine.

Molecular Properties

Compound Name3-N-phenyl-1H-indazole-3,5-diamine
PubChem CID89172388
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name3-N-phenyl-1H-indazole-3,5-diamine
SMILESNc1ccc2[nH]nc(Nc3ccccc3)c2c1
InChIInChI=1S/C13H12N4/c14-9-6-7-12-11(8-9)13(17-16-12)15-10-4-2-1-3-5-10/h1-8H,14H2,(H2,15,16,17)
InChIKeySSTUKIRKGGVTDU-UHFFFAOYSA-N
XLogP2.89
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N-phenyl-1H-indazole-3,5-diamine?
The IUPAC name of 3-N-phenyl-1H-indazole-3,5-diamine (CID 89172388) is 3-N-phenyl-1H-indazole-3,5-diamine.
What is the SMILES notation for 3-N-phenyl-1H-indazole-3,5-diamine?
The canonical SMILES for 3-N-phenyl-1H-indazole-3,5-diamine is Nc1ccc2[nH]nc(Nc3ccccc3)c2c1.
What is the InChIKey of 3-N-phenyl-1H-indazole-3,5-diamine?
The InChIKey is SSTUKIRKGGVTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c14-9-6-7-12-11(8-9)13(17-16-12)15-10-4-2-1-3-5-10/h1-8H,14H2,(H2,15,16,17).
What are the key properties of 3-N-phenyl-1H-indazole-3,5-diamine?
3-N-phenyl-1H-indazole-3,5-diamine has a molecular weight of 224.27 g/mol, XLogP of 2.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-phenyl-1H-indazole-3,5-diamine is sourced from PubChem (CID 89172388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).