4-N-(1H-indazol-3-yl)benzene-1,4-diamine

C13H12N4 — CID 142650231

IUPAC4-N-(1H-indazol-3-yl)benzene-1,4-diamine
SMILESNc1ccc(Nc2n[nH]c3ccccc23)cc1
InChIInChI=1S/C13H12N4/c14-9-5-7-10(8-6-9)15-13-11-3-1-2-4-12(11)16-17-13/h1-8H,14H2,(H2,15,16,17)
InChIKeyAGFKKQZBWAFLPZ-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.89
Rot. Bonds2

About 4-N-(1H-indazol-3-yl)benzene-1,4-diamine

4-N-(1H-indazol-3-yl)benzene-1,4-diamine (PubChem CID 142650231) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 4-N-(1H-indazol-3-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(1H-indazol-3-yl)benzene-1,4-diamine
PubChem CID142650231
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name4-N-(1H-indazol-3-yl)benzene-1,4-diamine
SMILESNc1ccc(Nc2n[nH]c3ccccc23)cc1
InChIInChI=1S/C13H12N4/c14-9-5-7-10(8-6-9)15-13-11-3-1-2-4-12(11)16-17-13/h1-8H,14H2,(H2,15,16,17)
InChIKeyAGFKKQZBWAFLPZ-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-N-phenyl-1H-indazole-3,5-diamine
CID 89172388
3-N-(4-fluorophenyl)-1H-indazole-3,5-diamine
CID 69074655
N-(2-methylphenyl)-1H-indazol-3-amine
CID 59097627
1H-indazol-3-amine;methane
CID 143158036
N-(1H-indazol-3-yl)-1,3-dimethylpyrrolo[2,3-b]pyridin-5-amine
CID 134192218
3-cyclopropyl-N-(1H-indazol-3-yl)-1-propan-2-ylindazol-6-amine
CID 134192103
N-(4-bromo-2,5-dimethylphenyl)-1H-indazol-3-amine
CID 177034353
1-(4-bromophenyl)-3-(1H-indazol-3-yl)urea
CID 25197647
N-(4-methoxypyridazin-3-yl)-1H-indazol-3-amine
CID 166129517
2-amino-N-(1H-indazol-3-yl)acetamide;hydrochloride
CID 130729532
4-N-(4-aminophenyl)benzene-1,4-diamine
CID 10841
5-amino-3-(4-aminoanilino)-1H-pyrazole-4-carbonitrile
CID 11401621

Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-indazol-3-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-(1H-indazol-3-yl)benzene-1,4-diamine (CID 142650231) is 4-N-(1H-indazol-3-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(1H-indazol-3-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(1H-indazol-3-yl)benzene-1,4-diamine is Nc1ccc(Nc2n[nH]c3ccccc23)cc1.
What is the InChIKey of 4-N-(1H-indazol-3-yl)benzene-1,4-diamine?
The InChIKey is AGFKKQZBWAFLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c14-9-5-7-10(8-6-9)15-13-11-3-1-2-4-12(11)16-17-13/h1-8H,14H2,(H2,15,16,17).
What are the key properties of 4-N-(1H-indazol-3-yl)benzene-1,4-diamine?
4-N-(1H-indazol-3-yl)benzene-1,4-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 4-N-(1H-indazol-3-yl)benzene-1,4-diamine is sourced from PubChem (CID 142650231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).