3-[(4-amino-1,3,5-triazin-2-yl)amino]phenol

C9H9N5O — CID 4125292

IUPAC3-[(4-amino-1,3,5-triazin-2-yl)amino]phenol
SMILESNc1ncnc(Nc2cccc(O)c2)n1
InChIInChI=1S/C9H9N5O/c10-8-11-5-12-9(14-8)13-6-2-1-3-7(15)4-6/h1-5,15H,(H3,10,11,12,13,14)
InChIKeyOXXCJEBZLHWEQI-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.90
Rot. Bonds2

About 3-[(4-amino-1,3,5-triazin-2-yl)amino]phenol

3-[(4-amino-1,3,5-triazin-2-yl)amino]phenol (PubChem CID 4125292) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 3-[(4-amino-1,3,5-triazin-2-yl)amino]phenol.

Molecular Properties

Compound Name3-[(4-amino-1,3,5-triazin-2-yl)amino]phenol
PubChem CID4125292
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name3-[(4-amino-1,3,5-triazin-2-yl)amino]phenol
SMILESNc1ncnc(Nc2cccc(O)c2)n1
InChIInChI=1S/C9H9N5O/c10-8-11-5-12-9(14-8)13-6-2-1-3-7(15)4-6/h1-5,15H,(H3,10,11,12,13,14)
InChIKeyOXXCJEBZLHWEQI-UHFFFAOYSA-N
XLogP0.90
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-1,3,5-triazin-2-yl)amino]phenol?
The IUPAC name of 3-[(4-amino-1,3,5-triazin-2-yl)amino]phenol (CID 4125292) is 3-[(4-amino-1,3,5-triazin-2-yl)amino]phenol.
What is the SMILES notation for 3-[(4-amino-1,3,5-triazin-2-yl)amino]phenol?
The canonical SMILES for 3-[(4-amino-1,3,5-triazin-2-yl)amino]phenol is Nc1ncnc(Nc2cccc(O)c2)n1.
What is the InChIKey of 3-[(4-amino-1,3,5-triazin-2-yl)amino]phenol?
The InChIKey is OXXCJEBZLHWEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c10-8-11-5-12-9(14-8)13-6-2-1-3-7(15)4-6/h1-5,15H,(H3,10,11,12,13,14).
What are the key properties of 3-[(4-amino-1,3,5-triazin-2-yl)amino]phenol?
3-[(4-amino-1,3,5-triazin-2-yl)amino]phenol has a molecular weight of 203.21 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-1,3,5-triazin-2-yl)amino]phenol is sourced from PubChem (CID 4125292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).