2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]phenol

C14H14N4O — CID 114332664

IUPAC2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]phenol
SMILESCc1ccn2nc(NCc3ccccc3O)nc2c1
InChIInChI=1S/C14H14N4O/c1-10-6-7-18-13(8-10)16-14(17-18)15-9-11-4-2-3-5-12(11)19/h2-8,19H,9H2,1H3,(H,15,17)
InChIKeyMQQDXIWHMWFLLH-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.36
Rot. Bonds3

About 2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]phenol

2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]phenol (PubChem CID 114332664) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]phenol
PubChem CID114332664
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]phenol
SMILESCc1ccn2nc(NCc3ccccc3O)nc2c1
InChIInChI=1S/C14H14N4O/c1-10-6-7-18-13(8-10)16-14(17-18)15-9-11-4-2-3-5-12(11)19/h2-8,19H,9H2,1H3,(H,15,17)
InChIKeyMQQDXIWHMWFLLH-UHFFFAOYSA-N
XLogP2.36
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.36
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

2-[[(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]phenol
CID 114332643
(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine
CID 116989782
2-(hydroxymethyl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol
CID 114009070
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 105358113
[1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]cyclohexyl]methanol
CID 103967254
2-ethyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol
CID 114010695
N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyridine-2-carboxamide
CID 110471213
N-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]ethanamine
CID 116989689
N-cycloheptyl-N'-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine
CID 115306802
7-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 80688541
7-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106026994
7-methyl-N-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 83026136

Frequently Asked Questions

What is the IUPAC name of 2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]phenol?
The IUPAC name of 2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]phenol (CID 114332664) is 2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]phenol?
The canonical SMILES for 2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]phenol is Cc1ccn2nc(NCc3ccccc3O)nc2c1.
What is the InChIKey of 2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]phenol?
The InChIKey is MQQDXIWHMWFLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-10-6-7-18-13(8-10)16-14(17-18)15-9-11-4-2-3-5-12(11)19/h2-8,19H,9H2,1H3,(H,15,17).
What are the key properties of 2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]phenol?
2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]phenol has a molecular weight of 254.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]phenol is sourced from PubChem (CID 114332664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).