6-N-(2,3-dihydro-1H-inden-2-yl)-1H-indazole-5,6-diamine

C16H16N4 — CID 107844682

IUPAC6-N-(2,3-dihydro-1H-inden-2-yl)-1H-indazole-5,6-diamine
SMILESNc1cc2cn[nH]c2cc1NC1Cc2ccccc2C1
InChIInChI=1S/C16H16N4/c17-14-7-12-9-18-20-15(12)8-16(14)19-13-5-10-3-1-2-4-11(10)6-13/h1-4,7-9,13,19H,5-6,17H2,(H,18,20)
InChIKeyHOHBSSIZRPVECO-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.72
Rot. Bonds2

About 6-N-(2,3-dihydro-1H-inden-2-yl)-1H-indazole-5,6-diamine

6-N-(2,3-dihydro-1H-inden-2-yl)-1H-indazole-5,6-diamine (PubChem CID 107844682) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-N-(2,3-dihydro-1H-inden-2-yl)-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-(2,3-dihydro-1H-inden-2-yl)-1H-indazole-5,6-diamine
PubChem CID107844682
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name6-N-(2,3-dihydro-1H-inden-2-yl)-1H-indazole-5,6-diamine
SMILESNc1cc2cn[nH]c2cc1NC1Cc2ccccc2C1
InChIInChI=1S/C16H16N4/c17-14-7-12-9-18-20-15(12)8-16(14)19-13-5-10-3-1-2-4-11(10)6-13/h1-4,7-9,13,19H,5-6,17H2,(H,18,20)
InChIKeyHOHBSSIZRPVECO-UHFFFAOYSA-N
XLogP2.72
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.72
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 6-N-(2,3-dihydro-1H-inden-2-yl)-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-(2,3-dihydro-1H-inden-2-yl)-1H-indazole-5,6-diamine (CID 107844682) is 6-N-(2,3-dihydro-1H-inden-2-yl)-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-(2,3-dihydro-1H-inden-2-yl)-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-(2,3-dihydro-1H-inden-2-yl)-1H-indazole-5,6-diamine is Nc1cc2cn[nH]c2cc1NC1Cc2ccccc2C1.
What is the InChIKey of 6-N-(2,3-dihydro-1H-inden-2-yl)-1H-indazole-5,6-diamine?
The InChIKey is HOHBSSIZRPVECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c17-14-7-12-9-18-20-15(12)8-16(14)19-13-5-10-3-1-2-4-11(10)6-13/h1-4,7-9,13,19H,5-6,17H2,(H,18,20).
What are the key properties of 6-N-(2,3-dihydro-1H-inden-2-yl)-1H-indazole-5,6-diamine?
6-N-(2,3-dihydro-1H-inden-2-yl)-1H-indazole-5,6-diamine has a molecular weight of 264.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,3-dihydro-1H-inden-2-yl)-1H-indazole-5,6-diamine is sourced from PubChem (CID 107844682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).