6-[(3,3-dimethyl-1,2-dihydroinden-1-yl)amino]pyridazine-3-carboxamide

C16H18N4O — CID 133386609

IUPAC6-[(3,3-dimethyl-1,2-dihydroinden-1-yl)amino]pyridazine-3-carboxamide
SMILESCC1(C)CC(Nc2ccc(C(N)=O)nn2)c2ccccc21
InChIInChI=1S/C16H18N4O/c1-16(2)9-13(10-5-3-4-6-11(10)16)18-14-8-7-12(15(17)21)19-20-14/h3-8,13H,9H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyWUPNEVRJUGJSEO-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.41
Rot. Bonds3

About 6-[(3,3-dimethyl-1,2-dihydroinden-1-yl)amino]pyridazine-3-carboxamide

6-[(3,3-dimethyl-1,2-dihydroinden-1-yl)amino]pyridazine-3-carboxamide (PubChem CID 133386609) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-[(3,3-dimethyl-1,2-dihydroinden-1-yl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(3,3-dimethyl-1,2-dihydroinden-1-yl)amino]pyridazine-3-carboxamide
PubChem CID133386609
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name6-[(3,3-dimethyl-1,2-dihydroinden-1-yl)amino]pyridazine-3-carboxamide
SMILESCC1(C)CC(Nc2ccc(C(N)=O)nn2)c2ccccc21
InChIInChI=1S/C16H18N4O/c1-16(2)9-13(10-5-3-4-6-11(10)16)18-14-8-7-12(15(17)21)19-20-14/h3-8,13H,9H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyWUPNEVRJUGJSEO-UHFFFAOYSA-N
XLogP2.41
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,3-dimethyl-1,2-dihydroinden-1-yl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[(3,3-dimethyl-1,2-dihydroinden-1-yl)amino]pyridazine-3-carboxamide (CID 133386609) is 6-[(3,3-dimethyl-1,2-dihydroinden-1-yl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(3,3-dimethyl-1,2-dihydroinden-1-yl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(3,3-dimethyl-1,2-dihydroinden-1-yl)amino]pyridazine-3-carboxamide is CC1(C)CC(Nc2ccc(C(N)=O)nn2)c2ccccc21.
What is the InChIKey of 6-[(3,3-dimethyl-1,2-dihydroinden-1-yl)amino]pyridazine-3-carboxamide?
The InChIKey is WUPNEVRJUGJSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-16(2)9-13(10-5-3-4-6-11(10)16)18-14-8-7-12(15(17)21)19-20-14/h3-8,13H,9H2,1-2H3,(H2,17,21)(H,18,20).
What are the key properties of 6-[(3,3-dimethyl-1,2-dihydroinden-1-yl)amino]pyridazine-3-carboxamide?
6-[(3,3-dimethyl-1,2-dihydroinden-1-yl)amino]pyridazine-3-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,3-dimethyl-1,2-dihydroinden-1-yl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 133386609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).