6-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazine-3-carbonitrile

C11H16N4O — CID 133420472

IUPAC6-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazine-3-carbonitrile
SMILESCCC(C)(CCO)Nc1ccc(C#N)nn1
InChIInChI=1S/C11H16N4O/c1-3-11(2,6-7-16)13-10-5-4-9(8-12)14-15-10/h4-5,16H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyLVVBVPSMNKJTDI-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.31
Rot. Bonds5

About 6-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazine-3-carbonitrile

6-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazine-3-carbonitrile (PubChem CID 133420472) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 6-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazine-3-carbonitrile
PubChem CID133420472
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name6-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazine-3-carbonitrile
SMILESCCC(C)(CCO)Nc1ccc(C#N)nn1
InChIInChI=1S/C11H16N4O/c1-3-11(2,6-7-16)13-10-5-4-9(8-12)14-15-10/h4-5,16H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyLVVBVPSMNKJTDI-UHFFFAOYSA-N
XLogP1.31
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(6-aminopyridazin-3-yl)amino]-3-methylpentan-1-ol
CID 106174456
3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol
CID 106171523
3-methyl-3-[(5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 113258140
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-methylpyridine-3-carbonitrile
CID 113412332
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 103768343
2-fluoro-6-[(1-hydroxy-3-methylpentan-3-yl)amino]benzonitrile
CID 103768337
3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 106171147
3-[(6-methoxy-2-pyridinyl)amino]-3-methylpentan-1-ol
CID 106171463
3-[(6-fluoropyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106178744
N,N-dimethyl-6-(3-methylpentan-3-ylamino)pyridazine-3-carboxamide
CID 106329496
3-[(6-bromopyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106178733
5-(3-methylpentan-3-ylamino)pyridine-2-carbonitrile
CID 106328906

Frequently Asked Questions

What is the IUPAC name of 6-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazine-3-carbonitrile (CID 133420472) is 6-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazine-3-carbonitrile is CCC(C)(CCO)Nc1ccc(C#N)nn1.
What is the InChIKey of 6-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazine-3-carbonitrile?
The InChIKey is LVVBVPSMNKJTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-11(2,6-7-16)13-10-5-4-9(8-12)14-15-10/h4-5,16H,3,6-7H2,1-2H3,(H,13,15).
What are the key properties of 6-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazine-3-carbonitrile?
6-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazine-3-carbonitrile has a molecular weight of 220.28 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133420472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).