1-(2H-azirin-3-yl)azetidine

C5H8N2 — CID 140975148

IUPAC1-(2H-azirin-3-yl)azetidine
SMILESC1CN(C2=NC2)C1
InChIInChI=1S/C5H8N2/c1-2-7(3-1)5-4-6-5/h1-4H2
InChIKeyQPMPOOQYDYTVAB-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.10
Rot. Bonds

About 1-(2H-azirin-3-yl)azetidine

1-(2H-azirin-3-yl)azetidine (PubChem CID 140975148) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 1-(2H-azirin-3-yl)azetidine.

Molecular Properties

Compound Name1-(2H-azirin-3-yl)azetidine
PubChem CID140975148
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name1-(2H-azirin-3-yl)azetidine
SMILESC1CN(C2=NC2)C1
InChIInChI=1S/C5H8N2/c1-2-7(3-1)5-4-6-5/h1-4H2
InChIKeyQPMPOOQYDYTVAB-UHFFFAOYSA-N
XLogP0.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,4,6-tri(piperidin-1-yl)-1,3,5-triazine
CID 2827031
2-piperazin-1-yl-4,6-di(piperidin-1-yl)-1,3,5-triazine
CID 655485
acetic acid;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
CID 67501262
2-(azetidin-1-yl)azete
CID 141039790
1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ylmethyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
CID 101365137
N,N-diethylethanamine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
CID 67662818
acetic acid;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
CID 22623619
1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-1-methylhydrazine
CID 805708
3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-c]pyrimidine
CID 19902665
4-(azetidin-1-yl)-3,5-dibromopyridine
CID 130639085

Frequently Asked Questions

What is the IUPAC name of 1-(2H-azirin-3-yl)azetidine?
The IUPAC name of 1-(2H-azirin-3-yl)azetidine (CID 140975148) is 1-(2H-azirin-3-yl)azetidine.
What is the SMILES notation for 1-(2H-azirin-3-yl)azetidine?
The canonical SMILES for 1-(2H-azirin-3-yl)azetidine is C1CN(C2=NC2)C1.
What is the InChIKey of 1-(2H-azirin-3-yl)azetidine?
The InChIKey is QPMPOOQYDYTVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-2-7(3-1)5-4-6-5/h1-4H2.
What are the key properties of 1-(2H-azirin-3-yl)azetidine?
1-(2H-azirin-3-yl)azetidine has a molecular weight of 96.13 g/mol, XLogP of 0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-azirin-3-yl)azetidine is sourced from PubChem (CID 140975148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).