methane;N-(tritiomethylideneamino)propanamide

C5H12N2O — CID 158537842

IUPACmethane;N-(tritiomethylideneamino)propanamide
SMILESC.[3H]/C=N/NC(=O)CC
InChIInChI=1S/C4H8N2O.CH4/c1-3-4(7)6-5-2;/h2-3H2,1H3,(H,6,7);1H4/i2T;/b5-2+;
InChIKeyHODUNFWRNMENOR-LJQIWTHESA-N
MW118.17 g/mol
LogP0.76
Rot. Bonds2

About methane;N-(tritiomethylideneamino)propanamide

methane;N-(tritiomethylideneamino)propanamide (PubChem CID 158537842) has the molecular formula C5H12N2O and a molecular weight of 118.17 g/mol. Its IUPAC name is methane;N-(tritiomethylideneamino)propanamide.

Molecular Properties

Compound Namemethane;N-(tritiomethylideneamino)propanamide
PubChem CID158537842
Molecular FormulaC5H12N2O
Molecular Weight118.17 g/mol
Exact Mass118.10
IUPAC Namemethane;N-(tritiomethylideneamino)propanamide
SMILESC.[3H]/C=N/NC(=O)CC
InChIInChI=1S/C4H8N2O.CH4/c1-3-4(7)6-5-2;/h2-3H2,1H3,(H,6,7);1H4/i2T;/b5-2+;
InChIKeyHODUNFWRNMENOR-LJQIWTHESA-N
XLogP0.76
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.17
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methane;N-(tritiomethylideneamino)propanamide 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

methane;methanethiol;N-(methylaminomethyl)propanamide
CID 143701183
N-methylpropanamide;prop-2-en-1-ol
CID 174821001
N-difluoroboranylpropanamide
CID 174891306
N-bromopropanamide
CID 15647963
N-methylpropanamide;propane
CID 91316585
N-[ethenyl-methyl-(propanoylamino)silyl]propanamide
CID 21438781
N'-tert-butylpropanehydrazide
CID 88905686
N,N'-bis(methylideneamino)dodecanediamide
CID 122685088
N-[(2E,4Z)-5-ethylhepta-2,4,6-trien-2-yl]propanamide
CID 146639754
propanehydrazide;dihydrochloride
CID 121342206
CID 160664038
CID 160664038
ethane;propanehydrazide
CID 143310399

Frequently Asked Questions

What is the IUPAC name of methane;N-(tritiomethylideneamino)propanamide?
The IUPAC name of methane;N-(tritiomethylideneamino)propanamide (CID 158537842) is methane;N-(tritiomethylideneamino)propanamide.
What is the SMILES notation for methane;N-(tritiomethylideneamino)propanamide?
The canonical SMILES for methane;N-(tritiomethylideneamino)propanamide is C.[3H]/C=N/NC(=O)CC.
What is the InChIKey of methane;N-(tritiomethylideneamino)propanamide?
The InChIKey is HODUNFWRNMENOR-LJQIWTHESA-N. The full InChI is InChI=1S/C4H8N2O.CH4/c1-3-4(7)6-5-2;/h2-3H2,1H3,(H,6,7);1H4/i2T;/b5-2+;.
What are the key properties of methane;N-(tritiomethylideneamino)propanamide?
methane;N-(tritiomethylideneamino)propanamide has a molecular weight of 118.17 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-(tritiomethylideneamino)propanamide is sourced from PubChem (CID 158537842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).