2-[4-amino-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol

C15H12N4O2 — CID 777754

IUPAC2-[4-amino-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol
SMILESNc1nc(-c2ccccc2O)nc(-c2ccccc2O)n1
InChIInChI=1S/C15H12N4O2/c16-15-18-13(9-5-1-3-7-11(9)20)17-14(19-15)10-6-2-4-8-12(10)21/h1-8,20-21H,(H2,16,17,18,19)
InChIKeyVDGCVEJODDABLM-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.20
Rot. Bonds2

About 2-[4-amino-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol

2-[4-amino-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol (PubChem CID 777754) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-[4-amino-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-amino-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol
PubChem CID777754
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name2-[4-amino-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol
SMILESNc1nc(-c2ccccc2O)nc(-c2ccccc2O)n1
InChIInChI=1S/C15H12N4O2/c16-15-18-13(9-5-1-3-7-11(9)20)17-14(19-15)10-6-2-4-8-12(10)21/h1-8,20-21H,(H2,16,17,18,19)
InChIKeyVDGCVEJODDABLM-UHFFFAOYSA-N
XLogP2.20
TPSA105.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,6-Diamino-1,3,5-triazin-2-yl)phenol
CID 97600
6-(2-Methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 667613
(6E)-6-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one
CID 389407
2-(5-Phenyl-1H-[1,2,4]triazol-3-yl)-phenol
CID 677535
2-(4-Amino-6-phenyl-1,3,5-triazin-2-yl)phenol
CID 853426
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
Phenol, 2,2'-[6-(methylthio)-1,3,5-triazine-2,4-diyl]bis-
CID 3245651
(E)-N-(4-(4-bromostyryl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl)cyanamide
CID 135590196
2,4,6-Tri(2,4-dihydroxyphenyl)-1,3,5-triazine
CID 135714880
Phenol, 2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-
CID 135486181

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 2-[4-amino-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol (CID 777754) is 2-[4-amino-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 2-[4-amino-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 2-[4-amino-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol is Nc1nc(-c2ccccc2O)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[4-amino-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol?
The InChIKey is VDGCVEJODDABLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c16-15-18-13(9-5-1-3-7-11(9)20)17-14(19-15)10-6-2-4-8-12(10)21/h1-8,20-21H,(H2,16,17,18,19).
What are the key properties of 2-[4-amino-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol?
2-[4-amino-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol has a molecular weight of 280.29 g/mol, XLogP of 2.20, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 777754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).