N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine

C16H22N6O — CID 126919626

IUPACN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
SMILESCc1noc(CN(C)C2CN(c3cc4c(nn3)CCCC4)C2)n1
InChIInChI=1S/C16H22N6O/c1-11-17-16(23-20-11)10-21(2)13-8-22(9-13)15-7-12-5-3-4-6-14(12)18-19-15/h7,13H,3-6,8-10H2,1-2H3
InChIKeyCBEYHTGNWDVXOF-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.37
Rot. Bonds4

About N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine

N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine (PubChem CID 126919626) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
PubChem CID126919626
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
SMILESCc1noc(CN(C)C2CN(c3cc4c(nn3)CCCC4)C2)n1
InChIInChI=1S/C16H22N6O/c1-11-17-16(23-20-11)10-21(2)13-8-22(9-13)15-7-12-5-3-4-6-14(12)18-19-15/h7,13H,3-6,8-10H2,1-2H3
InChIKeyCBEYHTGNWDVXOF-UHFFFAOYSA-N
XLogP1.37
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919780
N-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919881
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
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-methyl-N-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919733
N-[(2-cyclobutylpyrimidin-5-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919708
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
1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine
CID 126918908
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920523
N-[(2-cyclopropylpyrimidin-4-yl)methyl]-1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methylazetidin-3-amine
CID 126919008
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919668

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine?
The IUPAC name of 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) is N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine.
What is the SMILES notation for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine?
The canonical SMILES for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine is Cc1noc(CN(C)C2CN(c3cc4c(nn3)CCCC4)C2)n1.
What is the InChIKey of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine?
The InChIKey is CBEYHTGNWDVXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-11-17-16(23-20-11)10-21(2)13-8-22(9-13)15-7-12-5-3-4-6-14(12)18-19-15/h7,13H,3-6,8-10H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine?
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine has a molecular weight of 314.39 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine is sourced from PubChem (CID 126919626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).