6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridazine-3-carboxamide

C11H18N4O2 — CID 106185340

IUPAC6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridazine-3-carboxamide
SMILESCC(C)(O)C(C)(C)Nc1ccc(C(N)=O)nn1
InChIInChI=1S/C11H18N4O2/c1-10(2,11(3,4)17)13-8-6-5-7(9(12)16)14-15-8/h5-6,17H,1-4H3,(H2,12,16)(H,13,15)
InChIKeySPEOIMICGATYDL-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.54
Rot. Bonds4

About 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridazine-3-carboxamide

6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridazine-3-carboxamide (PubChem CID 106185340) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridazine-3-carboxamide
PubChem CID106185340
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridazine-3-carboxamide
SMILESCC(C)(O)C(C)(C)Nc1ccc(C(N)=O)nn1
InChIInChI=1S/C11H18N4O2/c1-10(2,11(3,4)17)13-8-6-5-7(9(12)16)14-15-8/h5-6,17H,1-4H3,(H2,12,16)(H,13,15)
InChIKeySPEOIMICGATYDL-UHFFFAOYSA-N
XLogP0.54
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridazine-3-carboxamide (CID 106185340) is 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridazine-3-carboxamide is CC(C)(O)C(C)(C)Nc1ccc(C(N)=O)nn1.
What is the InChIKey of 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridazine-3-carboxamide?
The InChIKey is SPEOIMICGATYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-10(2,11(3,4)17)13-8-6-5-7(9(12)16)14-15-8/h5-6,17H,1-4H3,(H2,12,16)(H,13,15).
What are the key properties of 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridazine-3-carboxamide?
6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridazine-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 106185340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).