N-Methyl-N-(2-methylpyridin-3-yl)triimidodicarbonic acid

HCID 217819

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Basic information

CAS: 39641-26-4
Standard SMILES: Cc1ncccc1NC(=O)N(C)C(N)=O
InChIKey: VRJZWBJQYZIRIN-UHFFFAOYSA-N
Molecular formula: C9H12N4O2
Average molar mass: 208.22 g/mol
Monoisotopic mass: 208.09602564

Names & identifiers

Preferred name: N-Methyl-N-(2-methylpyridin-3-yl)triimidodicarbonic acid
IUPAC: 1-carbamoyl-1-methyl-3-(2-methyl-3-pyridinyl)urea

Names & synonyms

DTXSID9096026539641-26-4N-Methyl-N-(2-methylpyridin-3-yl)triimidodicarbonic acidRefChem:1091923DTXCID9013881271,3-Dimethyl-5-(3-pyridyl)biuretN,2-Dimethyl-N'-3-pyridinylimidodicarbonic diamideImidodicarbonic diamide, N,2-dimethyl-N'-3-pyridinyl-

Database identifiers

CAS: 39641-26-4
PubChem CID: 217819
DTXSID: DTXSID90960265

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 88.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 256

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