4-[2-(trideuteriomethylimino)hydrazinyl]-1H-imidazole-5-carboxamide

C5H8N6O — CID 135804075

IUPAC4-[2-(trideuteriomethylimino)hydrazinyl]-1H-imidazole-5-carboxamide
SMILES[2H]C([2H])([2H])/N=N/Nc1nc[nH]c1C(N)=O
InChIInChI=1S/C5H8N6O/c1-7-11-10-5-3(4(6)12)8-2-9-5/h2H,1H3,(H2,6,12)(H,7,10)(H,8,9)/i1D3
InChIKeyMVBPAIHFZZKRGD-FIBGUPNXSA-N
MW171.18 g/mol
LogP-0.08
Rot. Bonds4

About 4-[2-(trideuteriomethylimino)hydrazinyl]-1H-imidazole-5-carboxamide

4-[2-(trideuteriomethylimino)hydrazinyl]-1H-imidazole-5-carboxamide (PubChem CID 135804075) has the molecular formula C5H8N6O and a molecular weight of 171.18 g/mol. Its IUPAC name is 4-[2-(trideuteriomethylimino)hydrazinyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-[2-(trideuteriomethylimino)hydrazinyl]-1H-imidazole-5-carboxamide
PubChem CID135804075
Molecular FormulaC5H8N6O
Molecular Weight171.18 g/mol
Exact Mass171.09
IUPAC Name4-[2-(trideuteriomethylimino)hydrazinyl]-1H-imidazole-5-carboxamide
SMILES[2H]C([2H])([2H])/N=N/Nc1nc[nH]c1C(N)=O
InChIInChI=1S/C5H8N6O/c1-7-11-10-5-3(4(6)12)8-2-9-5/h2H,1H3,(H2,6,12)(H,7,10)(H,8,9)/i1D3
InChIKeyMVBPAIHFZZKRGD-FIBGUPNXSA-N
XLogP-0.08
TPSA108.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.18
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydrazinyl-1H-imidazole-5-carboxamide
CID 12802223
4-(propan-2-ylamino)-1H-imidazole-5-carboxamide
CID 58431037
4-[(E)-(4-bromoanilino)diazenyl]-1H-imidazole-5-carboxamide
CID 135441765
4-benzamido-1H-imidazole-5-carboxamide
CID 13223230
4-(15N)azanyl-1H-imidazole-5-(14N)carboxamide
CID 101129871
4-diazenyl-1H-imidazole-5-carboxamide;methanol
CID 143820747
4-(butan-2-ylideneamino)-1H-imidazole-5-carboxamide
CID 174089409
4-amino-1H-imidazole-5-carboxamide;molecular hydrogen
CID 161460316
ethyl acetate;methyl 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[(5-carbamoyl-1H-imidazol-4-yl)amino]diazenyl]propanoate
CID 135509542
3-[4-[(5-carbamoyl-1H-imidazol-4-yl)sulfamoyl]phenyl]prop-2-enoic acid
CID 154759685
4-[(E)-[hydroxymethyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide
CID 135518056
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide
CID 161327614

Frequently Asked Questions

What is the IUPAC name of 4-[2-(trideuteriomethylimino)hydrazinyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 4-[2-(trideuteriomethylimino)hydrazinyl]-1H-imidazole-5-carboxamide (CID 135804075) is 4-[2-(trideuteriomethylimino)hydrazinyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-[2-(trideuteriomethylimino)hydrazinyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-[2-(trideuteriomethylimino)hydrazinyl]-1H-imidazole-5-carboxamide is [2H]C([2H])([2H])/N=N/Nc1nc[nH]c1C(N)=O.
What is the InChIKey of 4-[2-(trideuteriomethylimino)hydrazinyl]-1H-imidazole-5-carboxamide?
The InChIKey is MVBPAIHFZZKRGD-FIBGUPNXSA-N. The full InChI is InChI=1S/C5H8N6O/c1-7-11-10-5-3(4(6)12)8-2-9-5/h2H,1H3,(H2,6,12)(H,7,10)(H,8,9)/i1D3.
What are the key properties of 4-[2-(trideuteriomethylimino)hydrazinyl]-1H-imidazole-5-carboxamide?
4-[2-(trideuteriomethylimino)hydrazinyl]-1H-imidazole-5-carboxamide has a molecular weight of 171.18 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trideuteriomethylimino)hydrazinyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 135804075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).