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

C18H21N7 — CID 126919204

IUPAC1-(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
SMILESCN(Cc1nnc2ccccn12)C1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C18H21N7/c1-23(12-18-22-20-16-7-2-3-8-25(16)18)14-10-24(11-14)17-9-13-5-4-6-15(13)19-21-17/h2-3,7-9,14H,4-6,10-12H2,1H3
InChIKeyDMZGTYNYESQMLZ-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.33
Rot. Bonds4

About 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

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 (PubChem CID 126919204) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID126919204
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name1-(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
SMILESCN(Cc1nnc2ccccn12)C1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C18H21N7/c1-23(12-18-22-20-16-7-2-3-8-25(16)18)14-10-24(11-14)17-9-13-5-4-6-15(13)19-21-17/h2-3,7-9,14H,4-6,10-12H2,1H3
InChIKeyDMZGTYNYESQMLZ-UHFFFAOYSA-N
XLogP1.33
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

N-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919881
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-(1,2-oxazol-3-ylmethyl)-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919780
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919668
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-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-[2-(triazol-1-yl)ethyl]azetidin-3-amine
CID 126919032
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylindolizine-2-carboxamide
CID 126918821
N-[(2-cyclopropylpyrimidin-4-yl)methyl]-1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methylazetidin-3-amine
CID 126919008
N-[(2-cyclobutylpyrimidin-5-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919708
1-[[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]methyl]cyclobutan-1-ol
CID 126919871
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1,3-benzoxazol-2-amine
CID 126918884
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylisoquinoline-1-carboxamide
CID 126918796

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(Cc1nnc2ccccn12)C1CN(c2cc3c(nn2)CCC3)C1.
What is the InChIKey of 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?
The InChIKey is DMZGTYNYESQMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-23(12-18-22-20-16-7-2-3-8-25(16)18)14-10-24(11-14)17-9-13-5-4-6-15(13)19-21-17/h2-3,7-9,14H,4-6,10-12H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 335.42 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 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-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-amine is sourced from PubChem (CID 126919204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).