1,3-diazabicyclo[2.2.0]hexane

C4H8N2 — CID 15839088

IUPAC1,3-diazabicyclo[2.2.0]hexane
SMILESC1CN2CNC12
InChIInChI=1S/C4H8N2/c1-2-6-3-5-4(1)6/h4-5H,1-3H2
InChIKeyDDFSSOQYYJAGAO-UHFFFAOYSA-N
MW84.12 g/mol
LogP-0.42
Rot. Bonds

About 1,3-diazabicyclo[2.2.0]hexane

1,3-diazabicyclo[2.2.0]hexane (PubChem CID 15839088) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is 1,3-diazabicyclo[2.2.0]hexane.

Molecular Properties

Compound Name1,3-diazabicyclo[2.2.0]hexane
PubChem CID15839088
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC Name1,3-diazabicyclo[2.2.0]hexane
SMILESC1CN2CNC12
InChIInChI=1S/C4H8N2/c1-2-6-3-5-4(1)6/h4-5H,1-3H2
InChIKeyDDFSSOQYYJAGAO-UHFFFAOYSA-N
XLogP-0.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,6-dimethyl-4-(4-methylpiperazin-1-yl)-1,3-diazinane
CID 163677810
2,4-diazatricyclo[6.4.1.04,13]tridecane
CID 166949763
1-cyclopentylpyrrolidine-3-thiol
CID 18792683
(6S)-6-methyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
CID 172615572
1-methyl-4-[(2S)-pyrrolidin-2-yl]piperazine
CID 129370918
6-methyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
CID 172615340
6-cyclopropyl-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[2,3-d]azepine
CID 83846587
(1R,2S,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 11252155
4-(azetidin-3-yl)-1-cyclopropylpiperidine
CID 138111863
(2R,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 153057468
1-cyclopropyl-4-methylsulfanylpiperidine
CID 146208797
(2R,3R)-1,4-diazabicyclo[2.2.2]octane-2,3-dithiol
CID 45099650

Frequently Asked Questions

What is the IUPAC name of 1,3-diazabicyclo[2.2.0]hexane?
The IUPAC name of 1,3-diazabicyclo[2.2.0]hexane (CID 15839088) is 1,3-diazabicyclo[2.2.0]hexane.
What is the SMILES notation for 1,3-diazabicyclo[2.2.0]hexane?
The canonical SMILES for 1,3-diazabicyclo[2.2.0]hexane is C1CN2CNC12.
What is the InChIKey of 1,3-diazabicyclo[2.2.0]hexane?
The InChIKey is DDFSSOQYYJAGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2/c1-2-6-3-5-4(1)6/h4-5H,1-3H2.
What are the key properties of 1,3-diazabicyclo[2.2.0]hexane?
1,3-diazabicyclo[2.2.0]hexane has a molecular weight of 84.12 g/mol, XLogP of -0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazabicyclo[2.2.0]hexane is sourced from PubChem (CID 15839088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).