Basic information
- CAS
5962-23-2- Standard SMILES
CCCc1nc(N)nc(N)n1- InChIKey
NGYGUYRBWLUDRP-UHFFFAOYSA-N- Molecular formula
- C6H11N5
- Average molar mass
- 153.19 g/mol
- Monoisotopic mass
- 153.10144537
Overview
structure given in first source
Names & identifiers
- Preferred name
- 6-Propyl-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-propyl-1,3,5-triazine-2,4-diamine
- English name
- 6-propyl-1,3,5-triazine-2,4-diamine
- Molecular formula
- C6H11N5
- Molecular weight
- 153.18504
Names & synonyms
Butyroguanamine6-Propyl-1,3,5-triazine-2,4-diamine5962-23-21,3,5-Triazine-2,4-diamine, 6-propyl-NSC-254524PR4Z85A4HRDTXSID30208294RefChem:122362DTXCID50130785227-737-2AI351439EINECS 227-737-2
Show more names
AI3 514391,3,5-Triazine-2,4-diamine,6-propyl-
starbld0007004AI3-51439SCHEMBL671139orb1702466SCHEMBL27570534SCHEMBL28746576s-Triazine,4-diamino-6-propyl-s-Triazine, 1,2,3,4-tetrahydro-2,4-diimino-6-propyl-
Database identifiers
- CAS
5962-23-2- PubChem CID
- 22252
- DTXSID
DTXSID30208294- UNII
- PR4Z85A4HR
- EC Number
- 227-737-2
- Nikkaji
- J128.584J
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- FDA UNII
- 4 Z85A4HR · PR4Z85A4HR
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Applications
DescriptionButyroguanamine derivatives are Analgesic drugs.
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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