2-(azetidin-1-yl)azete

C6H8N2 — CID 141039790

IUPAC2-(azetidin-1-yl)azete
SMILESC1=CC(N2CCC2)=N1
InChIInChI=1S/C6H8N2/c1-4-8(5-1)6-2-3-7-6/h2-3H,1,4-5H2
InChIKeyMXKJXKHGCPFYRC-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.62
Rot. Bonds

About 2-(azetidin-1-yl)azete

2-(azetidin-1-yl)azete (PubChem CID 141039790) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 2-(azetidin-1-yl)azete.

Molecular Properties

Compound Name2-(azetidin-1-yl)azete
PubChem CID141039790
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name2-(azetidin-1-yl)azete
SMILESC1=CC(N2CCC2)=N1
InChIInChI=1S/C6H8N2/c1-4-8(5-1)6-2-3-7-6/h2-3H,1,4-5H2
InChIKeyMXKJXKHGCPFYRC-UHFFFAOYSA-N
XLogP0.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(azetidin-1-yl)-3,5-dibromopyridine
CID 130639085
(2-piperidin-1-yl-1H-pyrimidin-6-ylidene)methanone
CID 176526128
1-(2H-azirin-3-yl)azetidine
CID 140975148
3-(azetidin-1-yl)-6-bromopyridazine
CID 123426042
3-methyl-7-(4-methylpiperazin-1-yl)-4H-azepine
CID 90725962
4-(azetidin-1-yl)-1-methyl-2-methylidene-6-pyrrolidin-1-ylpyrimidine
CID 123378723
3,5-dibromo-4-piperidin-1-ylpyridine
CID 629258
3-(azetidin-1-yl)-6-(chloromethyl)pyridazine
CID 130548160
1-(3aH-inden-1-yl)pyrrolidine
CID 135556128
3-piperidin-1-yl-1H-1,2-benzodiazepine
CID 68640460
3-(benzenesulfonyl)-6-piperidin-1-ylpyridazine
CID 53033983
1-(2,4,5-tripyrrolidin-1-ylphenyl)pyrrolidine
CID 86233327

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)azete?
The IUPAC name of 2-(azetidin-1-yl)azete (CID 141039790) is 2-(azetidin-1-yl)azete.
What is the SMILES notation for 2-(azetidin-1-yl)azete?
The canonical SMILES for 2-(azetidin-1-yl)azete is C1=CC(N2CCC2)=N1.
What is the InChIKey of 2-(azetidin-1-yl)azete?
The InChIKey is MXKJXKHGCPFYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-4-8(5-1)6-2-3-7-6/h2-3H,1,4-5H2.
What are the key properties of 2-(azetidin-1-yl)azete?
2-(azetidin-1-yl)azete has a molecular weight of 108.14 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)azete is sourced from PubChem (CID 141039790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).