3-(3-hydroxypyrrolidin-1-yl)pyridazine-4-carbonitrile

C9H10N4O — CID 80509512

IUPAC3-(3-hydroxypyrrolidin-1-yl)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N1CCC(O)C1
InChIInChI=1S/C9H10N4O/c10-5-7-1-3-11-12-9(7)13-4-2-8(14)6-13/h1,3,8,14H,2,4,6H2
InChIKeyDZUCUWJBGYREQR-UHFFFAOYSA-N
MW190.21 g/mol
LogP-0.08
Rot. Bonds1

About 3-(3-hydroxypyrrolidin-1-yl)pyridazine-4-carbonitrile

3-(3-hydroxypyrrolidin-1-yl)pyridazine-4-carbonitrile (PubChem CID 80509512) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 3-(3-hydroxypyrrolidin-1-yl)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(3-hydroxypyrrolidin-1-yl)pyridazine-4-carbonitrile
PubChem CID80509512
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name3-(3-hydroxypyrrolidin-1-yl)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N1CCC(O)C1
InChIInChI=1S/C9H10N4O/c10-5-7-1-3-11-12-9(7)13-4-2-8(14)6-13/h1,3,8,14H,2,4,6H2
InChIKeyDZUCUWJBGYREQR-UHFFFAOYSA-N
XLogP-0.08
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carbonitrile
CID 80509809
1-(4-cyanopyridazin-3-yl)piperidine-3-carboxylic acid
CID 80507826
3-[4-(aminomethyl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 80515322
1-(4-cyanopyridazin-3-yl)azetidine-3-carboxylic acid
CID 80508256
3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 80510057
4-(4-cyanopyridazin-3-yl)morpholine-2-carbonitrile
CID 80508208
3-piperazin-1-ylpyridazine-4-carbonitrile
CID 80507407
2-[(3S)-3-hydroxypyrrolidin-1-yl]benzonitrile
CID 55252376
3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carbonitrile
CID 80509567
3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbonitrile
CID 114536895
2-[1-(4-cyanopyridazin-3-yl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197968
3-(3-pyrazol-1-ylazetidin-1-yl)pyridazine-4-carbonitrile
CID 126900417

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypyrrolidin-1-yl)pyridazine-4-carbonitrile?
The IUPAC name of 3-(3-hydroxypyrrolidin-1-yl)pyridazine-4-carbonitrile (CID 80509512) is 3-(3-hydroxypyrrolidin-1-yl)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(3-hydroxypyrrolidin-1-yl)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(3-hydroxypyrrolidin-1-yl)pyridazine-4-carbonitrile is N#Cc1ccnnc1N1CCC(O)C1.
What is the InChIKey of 3-(3-hydroxypyrrolidin-1-yl)pyridazine-4-carbonitrile?
The InChIKey is DZUCUWJBGYREQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c10-5-7-1-3-11-12-9(7)13-4-2-8(14)6-13/h1,3,8,14H,2,4,6H2.
What are the key properties of 3-(3-hydroxypyrrolidin-1-yl)pyridazine-4-carbonitrile?
3-(3-hydroxypyrrolidin-1-yl)pyridazine-4-carbonitrile has a molecular weight of 190.21 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypyrrolidin-1-yl)pyridazine-4-carbonitrile is sourced from PubChem (CID 80509512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).