6-[1-hydroxypropan-2-yl(methyl)amino]pyridazine-4-carbonitrile

C9H12N4O — CID 131124292

IUPAC6-[1-hydroxypropan-2-yl(methyl)amino]pyridazine-4-carbonitrile
SMILESCC(CO)N(C)c1cc(C#N)cnn1
InChIInChI=1S/C9H12N4O/c1-7(6-14)13(2)9-3-8(4-10)5-11-12-9/h3,5,7,14H,6H2,1-2H3
InChIKeyBPNGSQWYWKJKBG-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.17
Rot. Bonds3

About 6-[1-hydroxypropan-2-yl(methyl)amino]pyridazine-4-carbonitrile

6-[1-hydroxypropan-2-yl(methyl)amino]pyridazine-4-carbonitrile (PubChem CID 131124292) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 6-[1-hydroxypropan-2-yl(methyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name6-[1-hydroxypropan-2-yl(methyl)amino]pyridazine-4-carbonitrile
PubChem CID131124292
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name6-[1-hydroxypropan-2-yl(methyl)amino]pyridazine-4-carbonitrile
SMILESCC(CO)N(C)c1cc(C#N)cnn1
InChIInChI=1S/C9H12N4O/c1-7(6-14)13(2)9-3-8(4-10)5-11-12-9/h3,5,7,14H,6H2,1-2H3
InChIKeyBPNGSQWYWKJKBG-UHFFFAOYSA-N
XLogP0.17
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-hydroxypropan-2-yl(methyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 6-[1-hydroxypropan-2-yl(methyl)amino]pyridazine-4-carbonitrile (CID 131124292) is 6-[1-hydroxypropan-2-yl(methyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 6-[1-hydroxypropan-2-yl(methyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 6-[1-hydroxypropan-2-yl(methyl)amino]pyridazine-4-carbonitrile is CC(CO)N(C)c1cc(C#N)cnn1.
What is the InChIKey of 6-[1-hydroxypropan-2-yl(methyl)amino]pyridazine-4-carbonitrile?
The InChIKey is BPNGSQWYWKJKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-7(6-14)13(2)9-3-8(4-10)5-11-12-9/h3,5,7,14H,6H2,1-2H3.
What are the key properties of 6-[1-hydroxypropan-2-yl(methyl)amino]pyridazine-4-carbonitrile?
6-[1-hydroxypropan-2-yl(methyl)amino]pyridazine-4-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-hydroxypropan-2-yl(methyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 131124292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).