4-amino-6-(1-cyclopropylethyl)-5-oxo-3-thioxo-tetrahydro-1,2,4-(2H,4H)-triazine

HCID 20032346
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Basic information

Standard SMILES
CC(C1CC1)C1NNC(=S)N(N)C1=O
InChIKey
YKBAHRQQYAGCBN-UHFFFAOYSA-N
Molecular formula
C8H14N4OS
Average molar mass
214.29 g/mol

Names & identifiers

Preferred name
4-amino-6-(1-cyclopropylethyl)-5-oxo-3-thioxo-tetrahydro-1,2,4-(2H,4H)-triazine
IUPAC
4-amino-6-(1-cyclopropylethyl)-3-sulfanylidene-1,2,4-triazinan-5-one

Names & synonyms

SCHEMBL10563687YKBAHRQQYAGCBN-UHFFFAOYSA-N4-amino-6-(1-cyclopropylethyl)-5-oxo-3-thioxo-tetrahydro-1,2,4-(2H,4H)-triazine

Database identifiers

PubChem CID
20032346

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
102 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
14

Related reactions

2 records
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Compound notes

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