1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine

C17H21N5 — CID 126918908

IUPAC1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine
SMILESCN(Cc1cccnc1)C1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C17H21N5/c1-21(10-13-4-3-7-18-9-13)15-11-22(12-15)17-8-14-5-2-6-16(14)19-20-17/h3-4,7-9,15H,2,5-6,10-12H2,1H3
InChIKeyYRMROWXCJJKTOJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.68
Rot. Bonds4

About 1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine

1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine (PubChem CID 126918908) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine
PubChem CID126918908
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine
SMILESCN(Cc1cccnc1)C1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C17H21N5/c1-21(10-13-4-3-7-18-9-13)15-11-22(12-15)17-8-14-5-2-6-16(14)19-20-17/h3-4,7-9,15H,2,5-6,10-12H2,1H3
InChIKeyYRMROWXCJJKTOJ-UHFFFAOYSA-N
XLogP1.68
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919881
N-[(2-cyclobutylpyrimidin-5-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919708
N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919780
N-[(2-cyclopropylpyrimidin-4-yl)methyl]-1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methylazetidin-3-amine
CID 126919008
3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one
CID 126918988
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
1-[[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]methyl]cyclobutan-1-ol
CID 126919871
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919668
N-methyl-N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919734
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1,3-benzoxazol-2-amine
CID 126918884
3-methyl-2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]pyrido[3,4-d]pyrimidin-4-one
CID 126919909

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine (CID 126918908) is 1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine is CN(Cc1cccnc1)C1CN(c2cc3c(nn2)CCC3)C1.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine?
The InChIKey is YRMROWXCJJKTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-21(10-13-4-3-7-18-9-13)15-11-22(12-15)17-8-14-5-2-6-16(14)19-20-17/h3-4,7-9,15H,2,5-6,10-12H2,1H3.
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine?
1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine has a molecular weight of 295.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine is sourced from PubChem (CID 126918908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).