6-[(3-hydroxy-2-methylpropyl)amino]pyridazine-4-carbonitrile

C9H12N4O — CID 131076601

IUPAC6-[(3-hydroxy-2-methylpropyl)amino]pyridazine-4-carbonitrile
SMILESCC(CO)CNc1cc(C#N)cnn1
InChIInChI=1S/C9H12N4O/c1-7(6-14)4-11-9-2-8(3-10)5-12-13-9/h2,5,7,14H,4,6H2,1H3,(H,11,13)
InChIKeyBYFRRCFLOBFYGU-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.39
Rot. Bonds4

About 6-[(3-hydroxy-2-methylpropyl)amino]pyridazine-4-carbonitrile

6-[(3-hydroxy-2-methylpropyl)amino]pyridazine-4-carbonitrile (PubChem CID 131076601) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 6-[(3-hydroxy-2-methylpropyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name6-[(3-hydroxy-2-methylpropyl)amino]pyridazine-4-carbonitrile
PubChem CID131076601
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name6-[(3-hydroxy-2-methylpropyl)amino]pyridazine-4-carbonitrile
SMILESCC(CO)CNc1cc(C#N)cnn1
InChIInChI=1S/C9H12N4O/c1-7(6-14)4-11-9-2-8(3-10)5-12-13-9/h2,5,7,14H,4,6H2,1H3,(H,11,13)
InChIKeyBYFRRCFLOBFYGU-UHFFFAOYSA-N
XLogP0.39
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxy-2-methylpropyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 6-[(3-hydroxy-2-methylpropyl)amino]pyridazine-4-carbonitrile (CID 131076601) is 6-[(3-hydroxy-2-methylpropyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 6-[(3-hydroxy-2-methylpropyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 6-[(3-hydroxy-2-methylpropyl)amino]pyridazine-4-carbonitrile is CC(CO)CNc1cc(C#N)cnn1.
What is the InChIKey of 6-[(3-hydroxy-2-methylpropyl)amino]pyridazine-4-carbonitrile?
The InChIKey is BYFRRCFLOBFYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-7(6-14)4-11-9-2-8(3-10)5-12-13-9/h2,5,7,14H,4,6H2,1H3,(H,11,13).
What are the key properties of 6-[(3-hydroxy-2-methylpropyl)amino]pyridazine-4-carbonitrile?
6-[(3-hydroxy-2-methylpropyl)amino]pyridazine-4-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxy-2-methylpropyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 131076601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).