azetidin-3-ylurea

C4H9N3O — CID 66186769

IUPACazetidin-3-ylurea
SMILESNC(=O)NC1CNC1
InChIInChI=1S/C4H9N3O/c5-4(8)7-3-1-6-2-3/h3,6H,1-2H2,(H3,5,7,8)
InChIKeyOMWXUTJGALFBON-UHFFFAOYSA-N
MW115.14 g/mol
LogP-1.37
Rot. Bonds1

About azetidin-3-ylurea

azetidin-3-ylurea (PubChem CID 66186769) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is azetidin-3-ylurea.

Molecular Properties

Compound Nameazetidin-3-ylurea
PubChem CID66186769
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Nameazetidin-3-ylurea
SMILESNC(=O)NC1CNC1
InChIInChI=1S/C4H9N3O/c5-4(8)7-3-1-6-2-3/h3,6H,1-2H2,(H3,5,7,8)
InChIKeyOMWXUTJGALFBON-UHFFFAOYSA-N
XLogP-1.37
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze azetidin-3-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(azetidin-3-yl)pyrrolidin-3-yl]urea
CID 130611267
N-(azetidin-3-yl)-2,2-dimethylpropanamide
CID 58468718
1,3-bis[4-(carbamoylamino)cyclohexyl]urea
CID 163452854
[4-(aminomethyl)cyclohexyl]urea
CID 130538291
cyclobutylurea;ethane
CID 145319429
(4-chlorocyclohexyl)urea
CID 86732946
N-(azetidin-3-yl)-2-methylsulfanylacetamide
CID 66185125
(1-propan-2-ylazetidin-3-yl)urea
CID 130678981
1-(azetidin-3-yl)-3-tert-butylurea
CID 66186075
N-(azetidin-3-yl)-2-methylbutanamide
CID 66188169
N-(azetidin-3-yl)-3-methylbut-2-enamide
CID 66185588
cyclohexylurea;methanamine
CID 142108304

Frequently Asked Questions

What is the IUPAC name of azetidin-3-ylurea?
The IUPAC name of azetidin-3-ylurea (CID 66186769) is azetidin-3-ylurea.
What is the SMILES notation for azetidin-3-ylurea?
The canonical SMILES for azetidin-3-ylurea is NC(=O)NC1CNC1.
What is the InChIKey of azetidin-3-ylurea?
The InChIKey is OMWXUTJGALFBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O/c5-4(8)7-3-1-6-2-3/h3,6H,1-2H2,(H3,5,7,8).
What are the key properties of azetidin-3-ylurea?
azetidin-3-ylurea has a molecular weight of 115.14 g/mol, XLogP of -1.37, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-ylurea is sourced from PubChem (CID 66186769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).