4-(4,6-diamino-1,3,5-triazin-2-yl)phenol

C9H9N5O — CID 4524718

IUPAC4-(4,6-diamino-1,3,5-triazin-2-yl)phenol
SMILESNc1nc(N)nc(-c2ccc(O)cc2)n1
InChIInChI=1S/C9H9N5O/c10-8-12-7(13-9(11)14-8)5-1-3-6(15)4-2-5/h1-4,15H,(H4,10,11,12,13,14)
InChIKeyGKRLZIVYFAJYEO-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.41
Rot. Bonds1

About 4-(4,6-diamino-1,3,5-triazin-2-yl)phenol

4-(4,6-diamino-1,3,5-triazin-2-yl)phenol (PubChem CID 4524718) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 4-(4,6-diamino-1,3,5-triazin-2-yl)phenol.

Molecular Properties

Compound Name4-(4,6-diamino-1,3,5-triazin-2-yl)phenol
PubChem CID4524718
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name4-(4,6-diamino-1,3,5-triazin-2-yl)phenol
SMILESNc1nc(N)nc(-c2ccc(O)cc2)n1
InChIInChI=1S/C9H9N5O/c10-8-12-7(13-9(11)14-8)5-1-3-6(15)4-2-5/h1-4,15H,(H4,10,11,12,13,14)
InChIKeyGKRLZIVYFAJYEO-UHFFFAOYSA-N
XLogP0.41
TPSA110.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(4,6-diamino-1,3,5-triazin-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,6-Diamino-1,3,5-triazin-2-yl)phenol
CID 97600
2-(4-Amino-6-phenyl-1,3,5-triazin-2-yl)phenol
CID 853426
1,3,5-Triazine-2,4-diamine, 6-(4-methoxyphenyl)-
CID 34921
2-(4,6-Diamino-1,3,5-Triazin-2-Yl)benzene-1,4-Diol
CID 135566556
2-(4,6-Diamino-1,3,5-Triazin-2-Yl)-4-Fluorophenol
CID 135566557
2-[4-Methyl-6-(methylamino)-1,3,5-triazin-2-yl]phenol
CID 950458
6-[4-(4-Methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 745572
4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol
CID 2768020
2-(4-Amino-6-methyl-1,3,5-triazin-2-yl)phenol
CID 705456
2-(4-Amino-6-propan-2-yl-1,3,5-triazin-2-yl)phenol
CID 136079175
6-(4-Phenoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 745052
4,4'-(1,2,4-Thiadiazole-3,5-diyl)diphenol
CID 135926058

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-diamino-1,3,5-triazin-2-yl)phenol?
The IUPAC name of 4-(4,6-diamino-1,3,5-triazin-2-yl)phenol (CID 4524718) is 4-(4,6-diamino-1,3,5-triazin-2-yl)phenol.
What is the SMILES notation for 4-(4,6-diamino-1,3,5-triazin-2-yl)phenol?
The canonical SMILES for 4-(4,6-diamino-1,3,5-triazin-2-yl)phenol is Nc1nc(N)nc(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-(4,6-diamino-1,3,5-triazin-2-yl)phenol?
The InChIKey is GKRLZIVYFAJYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c10-8-12-7(13-9(11)14-8)5-1-3-6(15)4-2-5/h1-4,15H,(H4,10,11,12,13,14).
What are the key properties of 4-(4,6-diamino-1,3,5-triazin-2-yl)phenol?
4-(4,6-diamino-1,3,5-triazin-2-yl)phenol has a molecular weight of 203.21 g/mol, XLogP of 0.41, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-diamino-1,3,5-triazin-2-yl)phenol is sourced from PubChem (CID 4524718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).