2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C15H17N5O — CID 126928177

IUPAC2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CN(c3ncccn3)C1)CCC2
InChIInChI=1S/C15H17N5O/c21-14-7-12-3-1-4-13(12)18-20(14)10-11-8-19(9-11)15-16-5-2-6-17-15/h2,5-7,11H,1,3-4,8-10H2
InChIKeyRTWCIGZPIDFHDH-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.66
Rot. Bonds3

About 2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126928177) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126928177
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CN(c3ncccn3)C1)CCC2
InChIInChI=1S/C15H17N5O/c21-14-7-12-3-1-4-13(12)18-20(14)10-11-8-19(9-11)15-16-5-2-6-17-15/h2,5-7,11H,1,3-4,8-10H2
InChIKeyRTWCIGZPIDFHDH-UHFFFAOYSA-N
XLogP0.66
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one with MolForge

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Related Compounds

2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928592
2-[[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126865039
2-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126851787
2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928413
2-[[1-[6-(dimethylamino)pyrimidin-4-yl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928656
2-[[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928393
2-[[1-(1-methyl-6-oxopyridazin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928901
2-[[1-(pyrimidin-4-ylmethyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928295
2-[[1-(2-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928866
2-[[1-(7H-purin-6-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928181
2-[(1-benzylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928895
2-[[1-(6-fluoroquinazolin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928446

Frequently Asked Questions

What is the IUPAC name of 2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126928177) is 2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is O=c1cc2c(nn1CC1CN(c3ncccn3)C1)CCC2.
What is the InChIKey of 2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is RTWCIGZPIDFHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c21-14-7-12-3-1-4-13(12)18-20(14)10-11-8-19(9-11)15-16-5-2-6-17-15/h2,5-7,11H,1,3-4,8-10H2.
What are the key properties of 2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 283.33 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126928177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).