6-(2-Furanyl)-1,3,5-triazine-2,4-diamine
Basic information
- CAS
4685-18-1- Standard SMILES
Nc1nc(N)nc(-c2ccco2)n1- InChIKey
ZIXSZSGPTZTMBU-UHFFFAOYSA-N- Molecular formula
- C7H7N5O
- Average molar mass
- 177.16 g/mol
- Monoisotopic mass
- 177.06505986
Names & identifiers
- Preferred name
- 6-(2-Furanyl)-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-(furan-2-yl)-1,3,5-triazine-2,4-diamine
- English name
- FURYLTRIAZINE
- Molecular formula
- C7H7N5O
- Molecular weight
- 177.16
Names & synonyms
4685-18-1s-Triazine, 2,4-diamino-6-(2-furyl)-2,4-DIAMINO-6-(2-FURYL)-S-TRIAZINE1,3,5-Triazine-2,4-diamine, 6-(2-furanyl)-DE43KRG5HB6-(2-FURANYL)-1,3,5-TRIAZINE-2,4-DIAMINENSC-3325RefChem:1073674Furyltriazine6-(furan-2-yl)-1,3,5-triazine-2,4-diamineENT 22641ENT 60229
Show more names
6-(2-Furyl)-s-triazine-2,4-diamineJR-6715, 6-(Furan-2-yl)-1,3,5-triazine-2,4-diamine, 97%
MFCD016789866-(2-furyl)-1,3,5-triazine-2,4-diamineNSC 3325BRN 0162120AI 3-226411,3,5-Triazine-2,4-diamine, 6-(2-furyl)-UNII-DE43KRG5HB2,4-DIAMINO-6-(2-FURYL)-1,3,5-TRIAZINE
Database identifiers
- CAS
4685-18-1- PubChem CID
- 20813
- DTXSID
DTXSID20963683- UNII
- DE43KRG5HB
- Nikkaji
- J16.756H
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Melting point
- 248 · 248-250 °C
- Boiling point
- 499.6 · 499.6±37.0 °C(Predicted)
- Density
- 1.455 · 1.455±0.06 g/cm3(Predicted)
- pka
- 4.24 · 4.24±0.10(Predicted)
- CAS DataBase Reference
- 4685 · 4685-18-1
- FDA UNII
- 43 KRG5HB · DE43KRG5HB
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