4-methyl-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]phenol

C16H18N4O — CID 43504771

IUPAC4-methyl-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]phenol
SMILESCc1ccc(O)c(C(C)NCc2nnc3ccccn23)c1
InChIInChI=1S/C16H18N4O/c1-11-6-7-14(21)13(9-11)12(2)17-10-16-19-18-15-5-3-4-8-20(15)16/h3-9,12,17,21H,10H2,1-2H3
InChIKeyYWVVYEVDUVTURJ-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.59
Rot. Bonds4

About 4-methyl-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]phenol

4-methyl-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]phenol (PubChem CID 43504771) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-methyl-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]phenol
PubChem CID43504771
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-methyl-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]phenol
SMILESCc1ccc(O)c(C(C)NCc2nnc3ccccn23)c1
InChIInChI=1S/C16H18N4O/c1-11-6-7-14(21)13(9-11)12(2)17-10-16-19-18-15-5-3-4-8-20(15)16/h3-9,12,17,21H,10H2,1-2H3
InChIKeyYWVVYEVDUVTURJ-UHFFFAOYSA-N
XLogP2.59
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-2-amine
CID 51887428
1-(5-bromothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 54898205
4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]phenol
CID 115493982
2-fluoro-4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 79781563
1-(4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiourea
CID 9215691
1-(2-bromophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43203676
2-(4-methylphenyl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 40709598
4,6-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-amine
CID 135106778
2-[1-(2-ethoxyethylamino)ethyl]-4-methylphenol
CID 43590909
3-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]benzene-1,2-diol
CID 61317861
(E)-3-(4-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide
CID 17439947
3-chloro-4-hydroxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282558

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]phenol?
The IUPAC name of 4-methyl-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]phenol (CID 43504771) is 4-methyl-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]phenol.
What is the SMILES notation for 4-methyl-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]phenol?
The canonical SMILES for 4-methyl-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]phenol is Cc1ccc(O)c(C(C)NCc2nnc3ccccn23)c1.
What is the InChIKey of 4-methyl-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]phenol?
The InChIKey is YWVVYEVDUVTURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-6-7-14(21)13(9-11)12(2)17-10-16-19-18-15-5-3-4-8-20(15)16/h3-9,12,17,21H,10H2,1-2H3.
What are the key properties of 4-methyl-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]phenol?
4-methyl-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]phenol has a molecular weight of 282.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]phenol is sourced from PubChem (CID 43504771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).