2-ethoxy-6-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol

C16H16N4O2 — CID 135429514

IUPAC2-ethoxy-6-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol
SMILESCCOc1cccc(-c2n[nH]c(-c3cccc(C)n3)n2)c1O
InChIInChI=1S/C16H16N4O2/c1-3-22-13-9-5-7-11(14(13)21)15-18-16(20-19-15)12-8-4-6-10(2)17-12/h4-9,21H,3H2,1-2H3,(H,18,19,20)
InChIKeyNCVFETLRJDAFLP-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.95
Rot. Bonds4

About 2-ethoxy-6-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol

2-ethoxy-6-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol (PubChem CID 135429514) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-ethoxy-6-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol
PubChem CID135429514
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-ethoxy-6-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol
SMILESCCOc1cccc(-c2n[nH]c(-c3cccc(C)n3)n2)c1O
InChIInChI=1S/C16H16N4O2/c1-3-22-13-9-5-7-11(14(13)21)15-18-16(20-19-15)12-8-4-6-10(2)17-12/h4-9,21H,3H2,1-2H3,(H,18,19,20)
InChIKeyNCVFETLRJDAFLP-UHFFFAOYSA-N
XLogP2.95
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethoxy-6-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-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-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol
CID 135429519
2-[3-(2-bromophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine
CID 15957267
2-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine
CID 15957270
4-chloro-2-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol
CID 135429513
2-ethoxy-6-methylphenol
CID 14911944
3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole
CID 61277730
4-(2-ethoxyphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 71276634
CID 140508108
CID 140508108
CID 140508165
CID 140508165
2-[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 6946489
2-[3-(3-fluoro-4-phenylphenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine
CID 15957206
4-ethoxy-2,6-bis(6-methyl-2-pyridinyl)pyridine
CID 10709725

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-ethoxy-6-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol (CID 135429514) is 2-ethoxy-6-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-ethoxy-6-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-ethoxy-6-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol is CCOc1cccc(-c2n[nH]c(-c3cccc(C)n3)n2)c1O.
What is the InChIKey of 2-ethoxy-6-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol?
The InChIKey is NCVFETLRJDAFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-3-22-13-9-5-7-11(14(13)21)15-18-16(20-19-15)12-8-4-6-10(2)17-12/h4-9,21H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 2-ethoxy-6-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol?
2-ethoxy-6-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol has a molecular weight of 296.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 135429514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).