1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-[2-(triazol-1-yl)ethyl]azetidin-3-amine

C15H21N7 — CID 126919032

IUPAC1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-[2-(triazol-1-yl)ethyl]azetidin-3-amine
SMILESCN(CCn1ccnn1)C1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C15H21N7/c1-20(7-8-22-6-5-16-19-22)13-10-21(11-13)15-9-12-3-2-4-14(12)17-18-15/h5-6,9,13H,2-4,7-8,10-11H2,1H3
InChIKeyAKPSBQFMIJBYOF-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.38
Rot. Bonds5

About 1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-[2-(triazol-1-yl)ethyl]azetidin-3-amine

1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-[2-(triazol-1-yl)ethyl]azetidin-3-amine (PubChem CID 126919032) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-[2-(triazol-1-yl)ethyl]azetidin-3-amine.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-[2-(triazol-1-yl)ethyl]azetidin-3-amine
PubChem CID126919032
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-[2-(triazol-1-yl)ethyl]azetidin-3-amine
SMILESCN(CCn1ccnn1)C1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C15H21N7/c1-20(7-8-22-6-5-16-19-22)13-10-21(11-13)15-9-12-3-2-4-14(12)17-18-15/h5-6,9,13H,2-4,7-8,10-11H2,1H3
InChIKeyAKPSBQFMIJBYOF-UHFFFAOYSA-N
XLogP0.38
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrazin-2-one
CID 126918988
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-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919770
1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]cyclopentan-1-ol
CID 126919169
1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine
CID 126918908
N-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919881
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
1-[[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]methyl]cyclobutan-1-ol
CID 126919871
N-[(2-cyclopropylpyrimidin-4-yl)methyl]-1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methylazetidin-3-amine
CID 126919008
N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919780
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide
CID 126918862

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-[2-(triazol-1-yl)ethyl]azetidin-3-amine?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-[2-(triazol-1-yl)ethyl]azetidin-3-amine (CID 126919032) is 1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-[2-(triazol-1-yl)ethyl]azetidin-3-amine.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-[2-(triazol-1-yl)ethyl]azetidin-3-amine?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-[2-(triazol-1-yl)ethyl]azetidin-3-amine is CN(CCn1ccnn1)C1CN(c2cc3c(nn2)CCC3)C1.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-[2-(triazol-1-yl)ethyl]azetidin-3-amine?
The InChIKey is AKPSBQFMIJBYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7/c1-20(7-8-22-6-5-16-19-22)13-10-21(11-13)15-9-12-3-2-4-14(12)17-18-15/h5-6,9,13H,2-4,7-8,10-11H2,1H3.
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-[2-(triazol-1-yl)ethyl]azetidin-3-amine?
1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-[2-(triazol-1-yl)ethyl]azetidin-3-amine has a molecular weight of 299.38 g/mol, XLogP of 0.38, 5 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-[2-(triazol-1-yl)ethyl]azetidin-3-amine is sourced from PubChem (CID 126919032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).