2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one

C16H19N5O — CID 126928592

IUPAC2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1CC1CN(c3ncccn3)C1)CCCC2
InChIInChI=1S/C16H19N5O/c22-15-8-13-4-1-2-5-14(13)19-21(15)11-12-9-20(10-12)16-17-6-3-7-18-16/h3,6-8,12H,1-2,4-5,9-11H2
InChIKeyFFMZCHPQIMBSDK-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.05
Rot. Bonds3

About 2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126928592) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126928592
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1CC1CN(c3ncccn3)C1)CCCC2
InChIInChI=1S/C16H19N5O/c22-15-8-13-4-1-2-5-14(13)19-21(15)11-12-9-20(10-12)16-17-6-3-7-18-16/h3,6-8,12H,1-2,4-5,9-11H2
InChIKeyFFMZCHPQIMBSDK-UHFFFAOYSA-N
XLogP1.05
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928177
2-[[1-[6-(dimethylamino)pyrimidin-4-yl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928656
2-[[1-(1-methyl-6-oxopyridazin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928901
2-[[1-(2-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928866
2-[(1-benzylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928895
2-[[1-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928678
2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928893
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-(2-imidazol-1-ylethyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928767
N-cyclopentyl-3-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]azetidine-1-carboxamide
CID 126928517

Frequently Asked Questions

What is the IUPAC name of 2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126928592) is 2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one is O=c1cc2c(nn1CC1CN(c3ncccn3)C1)CCCC2.
What is the InChIKey of 2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is FFMZCHPQIMBSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c22-15-8-13-4-1-2-5-14(13)19-21(15)11-12-9-20(10-12)16-17-6-3-7-18-16/h3,6-8,12H,1-2,4-5,9-11H2.
What are the key properties of 2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 297.36 g/mol, XLogP of 1.05, 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]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126928592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).