3-(pyrrolidin-2-ylmethyl)pyrido[3,4-d]pyridazin-4-one

C12H14N4O — CID 102548974

IUPAC3-(pyrrolidin-2-ylmethyl)pyrido[3,4-d]pyridazin-4-one
SMILESO=c1c2cnccc2cnn1CC1CCCN1
InChIInChI=1S/C12H14N4O/c17-12-11-7-13-5-3-9(11)6-15-16(12)8-10-2-1-4-14-10/h3,5-7,10,14H,1-2,4,8H2
InChIKeyPJRMOEPYSDQAIM-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.54
Rot. Bonds2

About 3-(pyrrolidin-2-ylmethyl)pyrido[3,4-d]pyridazin-4-one

3-(pyrrolidin-2-ylmethyl)pyrido[3,4-d]pyridazin-4-one (PubChem CID 102548974) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(pyrrolidin-2-ylmethyl)pyrido[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name3-(pyrrolidin-2-ylmethyl)pyrido[3,4-d]pyridazin-4-one
PubChem CID102548974
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name3-(pyrrolidin-2-ylmethyl)pyrido[3,4-d]pyridazin-4-one
SMILESO=c1c2cnccc2cnn1CC1CCCN1
InChIInChI=1S/C12H14N4O/c17-12-11-7-13-5-3-9(11)6-15-16(12)8-10-2-1-4-14-10/h3,5-7,10,14H,1-2,4,8H2
InChIKeyPJRMOEPYSDQAIM-UHFFFAOYSA-N
XLogP0.54
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 106548752
6-fluoro-1-(pyrrolidin-2-ylmethyl)indazole
CID 86203454
7-bromo-1-(pyrrolidin-2-ylmethyl)indazole
CID 84811810
7-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrazolo[5,4-d]triazin-4-one
CID 102819861
1-(pyrrolidin-2-ylmethyl)furo[2,3-g]indazole
CID 21196558
5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one
CID 114395863
2-(pyrrolidin-2-ylmethyl)triazole;hydrochloride
CID 86262246
7-amino-2-(cyclopropylmethyl)phthalazin-1-one
CID 71570454
5-bromo-1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol
CID 117232255
5-fluoro-1-(piperidin-2-ylmethyl)indazole
CID 84796127
5-chloro-4-phenoxy-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 117232233
3-(piperidin-2-ylmethyl)-1,2,3-benzotriazin-4-one;hydrochloride
CID 78053632

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-2-ylmethyl)pyrido[3,4-d]pyridazin-4-one?
The IUPAC name of 3-(pyrrolidin-2-ylmethyl)pyrido[3,4-d]pyridazin-4-one (CID 102548974) is 3-(pyrrolidin-2-ylmethyl)pyrido[3,4-d]pyridazin-4-one.
What is the SMILES notation for 3-(pyrrolidin-2-ylmethyl)pyrido[3,4-d]pyridazin-4-one?
The canonical SMILES for 3-(pyrrolidin-2-ylmethyl)pyrido[3,4-d]pyridazin-4-one is O=c1c2cnccc2cnn1CC1CCCN1.
What is the InChIKey of 3-(pyrrolidin-2-ylmethyl)pyrido[3,4-d]pyridazin-4-one?
The InChIKey is PJRMOEPYSDQAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c17-12-11-7-13-5-3-9(11)6-15-16(12)8-10-2-1-4-14-10/h3,5-7,10,14H,1-2,4,8H2.
What are the key properties of 3-(pyrrolidin-2-ylmethyl)pyrido[3,4-d]pyridazin-4-one?
3-(pyrrolidin-2-ylmethyl)pyrido[3,4-d]pyridazin-4-one has a molecular weight of 230.27 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-2-ylmethyl)pyrido[3,4-d]pyridazin-4-one is sourced from PubChem (CID 102548974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).