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

C14H12N4O2 — CID 135759486

IUPAC2-[4-amino-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]phenol
SMILESNn1c(-c2ccccc2O)nnc1-c1ccccc1O
InChIInChI=1S/C14H12N4O2/c15-18-13(9-5-1-3-7-11(9)19)16-17-14(18)10-6-2-4-8-12(10)20/h1-8,19-20H,15H2
InChIKeyRCWQYSMLJMWMMZ-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.74
Rot. Bonds2

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

2-[4-amino-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]phenol (PubChem CID 135759486) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[4-amino-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-[4-amino-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]phenol
PubChem CID135759486
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name2-[4-amino-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]phenol
SMILESNn1c(-c2ccccc2O)nnc1-c1ccccc1O
InChIInChI=1S/C14H12N4O2/c15-18-13(9-5-1-3-7-11(9)19)16-17-14(18)10-6-2-4-8-12(10)20/h1-8,19-20H,15H2
InChIKeyRCWQYSMLJMWMMZ-UHFFFAOYSA-N
XLogP1.74
TPSA97.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.74
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
2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenol
CID 2312645
(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-(3-methyl-1-phenyl-1H-1,2,4-triazol-5-yl)phenol
CID 2305193
4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol
CID 2768020
2-(4H-1,2,4-triazol-3-yl)phenol
CID 136008534
2-(4-Amino-6-methyl-1,3,5-triazin-2-yl)phenol
CID 705456
4-(5-Phenyl-4H-[1,2,4]triazol-3-ylazo)-phenol
CID 3115093
2-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-2H-[1,2,4]triazol-3-yl}-phenol
CID 135498001
2-(4-Amino-6-propan-2-yl-1,3,5-triazin-2-yl)phenol
CID 136079175

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-[4-amino-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]phenol (CID 135759486) is 2-[4-amino-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-[4-amino-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-[4-amino-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]phenol is Nn1c(-c2ccccc2O)nnc1-c1ccccc1O.
What is the InChIKey of 2-[4-amino-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]phenol?
The InChIKey is RCWQYSMLJMWMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c15-18-13(9-5-1-3-7-11(9)19)16-17-14(18)10-6-2-4-8-12(10)20/h1-8,19-20H,15H2.
What are the key properties of 2-[4-amino-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]phenol?
2-[4-amino-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]phenol has a molecular weight of 268.28 g/mol, XLogP of 1.74, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 135759486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).