3-(methyldiazenyl)-3-methyliminopropanamide

C5H10N4O — CID 129075335

IUPAC3-(methyldiazenyl)-3-methyliminopropanamide
SMILESC/N=C(CC(N)=O)\N=N\C
InChIInChI=1S/C5H10N4O/c1-7-5(9-8-2)3-4(6)10/h3H2,1-2H3,(H2,6,10)/b7-5-,9-8+
InChIKeyCIPVTRONCXXXPB-SUHGFZJFSA-N
MW142.16 g/mol
LogP-0.03
Rot. Bonds2

About 3-(methyldiazenyl)-3-methyliminopropanamide

3-(methyldiazenyl)-3-methyliminopropanamide (PubChem CID 129075335) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 3-(methyldiazenyl)-3-methyliminopropanamide.

Molecular Properties

Compound Name3-(methyldiazenyl)-3-methyliminopropanamide
PubChem CID129075335
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name3-(methyldiazenyl)-3-methyliminopropanamide
SMILESC/N=C(CC(N)=O)\N=N\C
InChIInChI=1S/C5H10N4O/c1-7-5(9-8-2)3-4(6)10/h3H2,1-2H3,(H2,6,10)/b7-5-,9-8+
InChIKeyCIPVTRONCXXXPB-SUHGFZJFSA-N
XLogP-0.03
TPSA80.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methyldiazenyl)-3-methyliminopropanamide?
The IUPAC name of 3-(methyldiazenyl)-3-methyliminopropanamide (CID 129075335) is 3-(methyldiazenyl)-3-methyliminopropanamide.
What is the SMILES notation for 3-(methyldiazenyl)-3-methyliminopropanamide?
The canonical SMILES for 3-(methyldiazenyl)-3-methyliminopropanamide is C/N=C(CC(N)=O)\N=N\C.
What is the InChIKey of 3-(methyldiazenyl)-3-methyliminopropanamide?
The InChIKey is CIPVTRONCXXXPB-SUHGFZJFSA-N. The full InChI is InChI=1S/C5H10N4O/c1-7-5(9-8-2)3-4(6)10/h3H2,1-2H3,(H2,6,10)/b7-5-,9-8+.
What are the key properties of 3-(methyldiazenyl)-3-methyliminopropanamide?
3-(methyldiazenyl)-3-methyliminopropanamide has a molecular weight of 142.16 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methyldiazenyl)-3-methyliminopropanamide is sourced from PubChem (CID 129075335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).