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

C17H22N6O — CID 126918988

IUPAC3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one
SMILESCN(Cc1nccn(C)c1=O)C1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C17H22N6O/c1-21-7-6-18-15(17(21)24)11-22(2)13-9-23(10-13)16-8-12-4-3-5-14(12)19-20-16/h6-8,13H,3-5,9-11H2,1-2H3
InChIKeyZHXTYLCXDHTXNB-UHFFFAOYSA-N
MW326.40 g/mol
LogP0.38
Rot. Bonds4

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

3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one (PubChem CID 126918988) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one
PubChem CID126918988
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one
SMILESCN(Cc1nccn(C)c1=O)C1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C17H22N6O/c1-21-7-6-18-15(17(21)24)11-22(2)13-9-23(10-13)16-8-12-4-3-5-14(12)19-20-16/h6-8,13H,3-5,9-11H2,1-2H3
InChIKeyZHXTYLCXDHTXNB-UHFFFAOYSA-N
XLogP0.38
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919761
1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-[2-(triazol-1-yl)ethyl]azetidin-3-amine
CID 126919032
N-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919881
N-[(2-cyclopropylpyrimidin-4-yl)methyl]-1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methylazetidin-3-amine
CID 126919008
1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-amine
CID 126919204
3-[[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one
CID 126922232
6-methyl-3-[2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]ethyl]pyrimidin-4-one
CID 126919705
N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919780
N-[(2-cyclobutylpyrimidin-5-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919708
1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]cyclopentan-1-ol
CID 126919169
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919626
N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919723

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one (CID 126918988) is 3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one is CN(Cc1nccn(C)c1=O)C1CN(c2cc3c(nn2)CCC3)C1.
What is the InChIKey of 3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one?
The InChIKey is ZHXTYLCXDHTXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-21-7-6-18-15(17(21)24)11-22(2)13-9-23(10-13)16-8-12-4-3-5-14(12)19-20-16/h6-8,13H,3-5,9-11H2,1-2H3.
What are the key properties of 3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one?
3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one has a molecular weight of 326.40 g/mol, XLogP of 0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one is sourced from PubChem (CID 126918988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).