diamino(113C)methanone

CH4N2O — CID 636363

IUPACdiamino(113C)methanone
SMILESN[13C](N)=O
InChIInChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i1+1
InChIKeyXSQUKJJJFZCRTK-OUBTZVSYSA-N
MW61.05 g/mol
LogP-0.98
Rot. Bonds

About diamino(113C)methanone

diamino(113C)methanone (PubChem CID 636363) has the molecular formula CH4N2O and a molecular weight of 61.05 g/mol. Its IUPAC name is diamino(113C)methanone.

Molecular Properties

Compound Namediamino(113C)methanone
PubChem CID636363
Molecular FormulaCH4N2O
Molecular Weight61.05 g/mol
Exact Mass61.04
IUPAC Namediamino(113C)methanone
SMILESN[13C](N)=O
InChIInChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i1+1
InChIKeyXSQUKJJJFZCRTK-OUBTZVSYSA-N
XLogP-0.98
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50061.05
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze diamino(113C)methanone 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

barium(2+);urea
CID 22402807
azanium urea
CID 22635082
CID 159010976
CID 159010976
CID 87675783
CID 87675783
azane;urea
CID 158949980
ruthenium;urea
CID 161030938
niobium;urea
CID 159338844
lithium urea
CID 22107644
samarium;urea
CID 175944196
CID 88605054
CID 88605054
tantalum;urea
CID 159758921
bis(oxygen(2-));titanium(4+);urea
CID 160875609

Frequently Asked Questions

What is the IUPAC name of diamino(113C)methanone?
The IUPAC name of diamino(113C)methanone (CID 636363) is diamino(113C)methanone.
What is the SMILES notation for diamino(113C)methanone?
The canonical SMILES for diamino(113C)methanone is N[13C](N)=O.
What is the InChIKey of diamino(113C)methanone?
The InChIKey is XSQUKJJJFZCRTK-OUBTZVSYSA-N. The full InChI is InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i1+1.
What are the key properties of diamino(113C)methanone?
diamino(113C)methanone has a molecular weight of 61.05 g/mol, XLogP of -0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diamino(113C)methanone is sourced from PubChem (CID 636363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).