3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridazine-4-carbonitrile

C11H16N4O2 — CID 106254321

IUPAC3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridazine-4-carbonitrile
SMILESCOCCC(C)(O)CNc1nnccc1C#N
InChIInChI=1S/C11H16N4O2/c1-11(16,4-6-17-2)8-13-10-9(7-12)3-5-14-15-10/h3,5,16H,4,6,8H2,1-2H3,(H,13,15)
InChIKeyKCVMAOWJWOOBGY-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.55
Rot. Bonds6

About 3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridazine-4-carbonitrile

3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridazine-4-carbonitrile (PubChem CID 106254321) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridazine-4-carbonitrile
PubChem CID106254321
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridazine-4-carbonitrile
SMILESCOCCC(C)(O)CNc1nnccc1C#N
InChIInChI=1S/C11H16N4O2/c1-11(16,4-6-17-2)8-13-10-9(7-12)3-5-14-15-10/h3,5,16H,4,6,8H2,1-2H3,(H,13,15)
InChIKeyKCVMAOWJWOOBGY-UHFFFAOYSA-N
XLogP0.55
TPSA91.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]benzonitrile
CID 106253939
3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile
CID 80510325
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyrimidine-4-carbonitrile
CID 106254224
4-methoxy-2-methyl-1-[(3-methylpyrazin-2-yl)amino]butan-2-ol
CID 106253528
3-[(2-methyl-2-phenylpropyl)amino]pyridazine-4-carbonitrile
CID 80515387
4-methoxy-2-methyl-1-[(3-methyl-2-pyridinyl)amino]butan-2-ol
CID 106253494
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-(trifluoromethyl)benzonitrile
CID 106254337
3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509420
methyl 3-[(4-cyanopyridazin-3-yl)amino]propanoate
CID 80510253
3-chloro-2-[(2-hydroxy-2-methylpentyl)amino]pyridine-4-carbonitrile
CID 106290624
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-5-(trifluoromethyl)benzonitrile
CID 106254470
N-tert-butyl-2-[(4-cyanopyridazin-3-yl)amino]acetamide
CID 115356285

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridazine-4-carbonitrile (CID 106254321) is 3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridazine-4-carbonitrile is COCCC(C)(O)CNc1nnccc1C#N.
What is the InChIKey of 3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridazine-4-carbonitrile?
The InChIKey is KCVMAOWJWOOBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-11(16,4-6-17-2)8-13-10-9(7-12)3-5-14-15-10/h3,5,16H,4,6,8H2,1-2H3,(H,13,15).
What are the key properties of 3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridazine-4-carbonitrile?
3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridazine-4-carbonitrile has a molecular weight of 236.27 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 106254321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).