3-(3-hydroxy-3-propan-2-ylazetidin-1-yl)pyridazine-4-carbonitrile

C11H14N4O — CID 80516202

IUPAC3-(3-hydroxy-3-propan-2-ylazetidin-1-yl)pyridazine-4-carbonitrile
SMILESCC(C)C1(O)CN(c2nnccc2C#N)C1
InChIInChI=1S/C11H14N4O/c1-8(2)11(16)6-15(7-11)10-9(5-12)3-4-13-14-10/h3-4,8,16H,6-7H2,1-2H3
InChIKeyBCWLHGLFRGMBFZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.56
Rot. Bonds2

About 3-(3-hydroxy-3-propan-2-ylazetidin-1-yl)pyridazine-4-carbonitrile

3-(3-hydroxy-3-propan-2-ylazetidin-1-yl)pyridazine-4-carbonitrile (PubChem CID 80516202) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(3-hydroxy-3-propan-2-ylazetidin-1-yl)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(3-hydroxy-3-propan-2-ylazetidin-1-yl)pyridazine-4-carbonitrile
PubChem CID80516202
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-(3-hydroxy-3-propan-2-ylazetidin-1-yl)pyridazine-4-carbonitrile
SMILESCC(C)C1(O)CN(c2nnccc2C#N)C1
InChIInChI=1S/C11H14N4O/c1-8(2)11(16)6-15(7-11)10-9(5-12)3-4-13-14-10/h3-4,8,16H,6-7H2,1-2H3
InChIKeyBCWLHGLFRGMBFZ-UHFFFAOYSA-N
XLogP0.56
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbonitrile
CID 114536895
3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile
CID 80509834
3-(1,3-dihydroisoindol-2-yl)pyridazine-4-carbonitrile
CID 80509508
3-piperazin-1-ylpyridazine-4-carbonitrile
CID 80507407
3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carbonitrile
CID 80509567
1-(4-cyanopyridazin-3-yl)azetidine-3-carboxylic acid
CID 80508256
3-(3-hydroxypyrrolidin-1-yl)pyridazine-4-carbonitrile
CID 80509512
3-(4-methyl-3-oxopiperazin-1-yl)pyridazine-4-carbonitrile
CID 80509734
1-(4-cyanopyridazin-3-yl)-4-propylpiperidine-4-carboxylic acid
CID 80508592
3-[4-(aminomethyl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 80515322
1-(4-cyanopyridazin-3-yl)piperidine-3-carboxylic acid
CID 80507826
3-(3-pyrazol-1-ylazetidin-1-yl)pyridazine-4-carbonitrile
CID 126900417

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-propan-2-ylazetidin-1-yl)pyridazine-4-carbonitrile?
The IUPAC name of 3-(3-hydroxy-3-propan-2-ylazetidin-1-yl)pyridazine-4-carbonitrile (CID 80516202) is 3-(3-hydroxy-3-propan-2-ylazetidin-1-yl)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(3-hydroxy-3-propan-2-ylazetidin-1-yl)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(3-hydroxy-3-propan-2-ylazetidin-1-yl)pyridazine-4-carbonitrile is CC(C)C1(O)CN(c2nnccc2C#N)C1.
What is the InChIKey of 3-(3-hydroxy-3-propan-2-ylazetidin-1-yl)pyridazine-4-carbonitrile?
The InChIKey is BCWLHGLFRGMBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8(2)11(16)6-15(7-11)10-9(5-12)3-4-13-14-10/h3-4,8,16H,6-7H2,1-2H3.
What are the key properties of 3-(3-hydroxy-3-propan-2-ylazetidin-1-yl)pyridazine-4-carbonitrile?
3-(3-hydroxy-3-propan-2-ylazetidin-1-yl)pyridazine-4-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3-propan-2-ylazetidin-1-yl)pyridazine-4-carbonitrile is sourced from PubChem (CID 80516202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).