1,6,6-trimethyl-3-phenyl-5,7-dihydro-4H-indazol-4-amine

C16H21N3 — CID 66489197

IUPAC1,6,6-trimethyl-3-phenyl-5,7-dihydro-4H-indazol-4-amine
SMILESCn1nc(-c2ccccc2)c2c1CC(C)(C)CC2N
InChIInChI=1S/C16H21N3/c1-16(2)9-12(17)14-13(10-16)19(3)18-15(14)11-7-5-4-6-8-11/h4-8,12H,9-10,17H2,1-3H3
InChIKeyOLQKOIFXKINGDF-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.06
Rot. Bonds1

About 1,6,6-trimethyl-3-phenyl-5,7-dihydro-4H-indazol-4-amine

1,6,6-trimethyl-3-phenyl-5,7-dihydro-4H-indazol-4-amine (PubChem CID 66489197) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1,6,6-trimethyl-3-phenyl-5,7-dihydro-4H-indazol-4-amine.

Molecular Properties

Compound Name1,6,6-trimethyl-3-phenyl-5,7-dihydro-4H-indazol-4-amine
PubChem CID66489197
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1,6,6-trimethyl-3-phenyl-5,7-dihydro-4H-indazol-4-amine
SMILESCn1nc(-c2ccccc2)c2c1CC(C)(C)CC2N
InChIInChI=1S/C16H21N3/c1-16(2)9-12(17)14-13(10-16)19(3)18-15(14)11-7-5-4-6-8-11/h4-8,12H,9-10,17H2,1-3H3
InChIKeyOLQKOIFXKINGDF-UHFFFAOYSA-N
XLogP3.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6,6-trimethyl-3-phenyl-5,7-dihydro-4H-indazol-4-amine?
The IUPAC name of 1,6,6-trimethyl-3-phenyl-5,7-dihydro-4H-indazol-4-amine (CID 66489197) is 1,6,6-trimethyl-3-phenyl-5,7-dihydro-4H-indazol-4-amine.
What is the SMILES notation for 1,6,6-trimethyl-3-phenyl-5,7-dihydro-4H-indazol-4-amine?
The canonical SMILES for 1,6,6-trimethyl-3-phenyl-5,7-dihydro-4H-indazol-4-amine is Cn1nc(-c2ccccc2)c2c1CC(C)(C)CC2N.
What is the InChIKey of 1,6,6-trimethyl-3-phenyl-5,7-dihydro-4H-indazol-4-amine?
The InChIKey is OLQKOIFXKINGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(2)9-12(17)14-13(10-16)19(3)18-15(14)11-7-5-4-6-8-11/h4-8,12H,9-10,17H2,1-3H3.
What are the key properties of 1,6,6-trimethyl-3-phenyl-5,7-dihydro-4H-indazol-4-amine?
1,6,6-trimethyl-3-phenyl-5,7-dihydro-4H-indazol-4-amine has a molecular weight of 255.37 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6-trimethyl-3-phenyl-5,7-dihydro-4H-indazol-4-amine is sourced from PubChem (CID 66489197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).