3-(methylamino)-N,2,3-tris(methylimino)propanamide

C7H13N5O — CID 172996519

IUPAC3-(methylamino)-N,2,3-tris(methylimino)propanamide
SMILESC/N=C(NC)/C(=N/C)C(=O)/N=N/C
InChIInChI=1S/C7H13N5O/c1-8-5(6(9-2)10-3)7(13)12-11-4/h1-4H3,(H,9,10)/b8-5-,12-11+
InChIKeyIOBMRGCPEWJUQB-OUICKUJRSA-N
MW183.21 g/mol
LogP-0.09
Rot. Bonds2

About 3-(methylamino)-N,2,3-tris(methylimino)propanamide

3-(methylamino)-N,2,3-tris(methylimino)propanamide (PubChem CID 172996519) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-(methylamino)-N,2,3-tris(methylimino)propanamide.

Molecular Properties

Compound Name3-(methylamino)-N,2,3-tris(methylimino)propanamide
PubChem CID172996519
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name3-(methylamino)-N,2,3-tris(methylimino)propanamide
SMILESC/N=C(NC)/C(=N/C)C(=O)/N=N/C
InChIInChI=1S/C7H13N5O/c1-8-5(6(9-2)10-3)7(13)12-11-4/h1-4H3,(H,9,10)/b8-5-,12-11+
InChIKeyIOBMRGCPEWJUQB-OUICKUJRSA-N
XLogP-0.09
TPSA78.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(methylamino)-N,2,3-tris(methylimino)propanamide?
The IUPAC name of 3-(methylamino)-N,2,3-tris(methylimino)propanamide (CID 172996519) is 3-(methylamino)-N,2,3-tris(methylimino)propanamide.
What is the SMILES notation for 3-(methylamino)-N,2,3-tris(methylimino)propanamide?
The canonical SMILES for 3-(methylamino)-N,2,3-tris(methylimino)propanamide is C/N=C(NC)/C(=N/C)C(=O)/N=N/C.
What is the InChIKey of 3-(methylamino)-N,2,3-tris(methylimino)propanamide?
The InChIKey is IOBMRGCPEWJUQB-OUICKUJRSA-N. The full InChI is InChI=1S/C7H13N5O/c1-8-5(6(9-2)10-3)7(13)12-11-4/h1-4H3,(H,9,10)/b8-5-,12-11+.
What are the key properties of 3-(methylamino)-N,2,3-tris(methylimino)propanamide?
3-(methylamino)-N,2,3-tris(methylimino)propanamide has a molecular weight of 183.21 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N,2,3-tris(methylimino)propanamide is sourced from PubChem (CID 172996519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).