1-(3-chlorophenyl)indazole-3,7-diamine

C13H11ClN4 — CID 69187735

IUPAC1-(3-chlorophenyl)indazole-3,7-diamine
SMILESNc1nn(-c2cccc(Cl)c2)c2c(N)cccc12
InChIInChI=1S/C13H11ClN4/c14-8-3-1-4-9(7-8)18-12-10(13(16)17-18)5-2-6-11(12)15/h1-7H,15H2,(H2,16,17)
InChIKeyAMOZPKLUPNSHBT-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.84
Rot. Bonds1

About 1-(3-chlorophenyl)indazole-3,7-diamine

1-(3-chlorophenyl)indazole-3,7-diamine (PubChem CID 69187735) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 1-(3-chlorophenyl)indazole-3,7-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)indazole-3,7-diamine
PubChem CID69187735
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name1-(3-chlorophenyl)indazole-3,7-diamine
SMILESNc1nn(-c2cccc(Cl)c2)c2c(N)cccc12
InChIInChI=1S/C13H11ClN4/c14-8-3-1-4-9(7-8)18-12-10(13(16)17-18)5-2-6-11(12)15/h1-7H,15H2,(H2,16,17)
InChIKeyAMOZPKLUPNSHBT-UHFFFAOYSA-N
XLogP2.84
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)indazole-3,7-diamine?
The IUPAC name of 1-(3-chlorophenyl)indazole-3,7-diamine (CID 69187735) is 1-(3-chlorophenyl)indazole-3,7-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)indazole-3,7-diamine?
The canonical SMILES for 1-(3-chlorophenyl)indazole-3,7-diamine is Nc1nn(-c2cccc(Cl)c2)c2c(N)cccc12.
What is the InChIKey of 1-(3-chlorophenyl)indazole-3,7-diamine?
The InChIKey is AMOZPKLUPNSHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c14-8-3-1-4-9(7-8)18-12-10(13(16)17-18)5-2-6-11(12)15/h1-7H,15H2,(H2,16,17).
What are the key properties of 1-(3-chlorophenyl)indazole-3,7-diamine?
1-(3-chlorophenyl)indazole-3,7-diamine has a molecular weight of 258.71 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)indazole-3,7-diamine is sourced from PubChem (CID 69187735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).