2-(hydroxymethyl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol

C11H16N4O3 — CID 114009070

IUPAC2-(hydroxymethyl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol
SMILESCc1ccn2nc(NC(CO)(CO)CO)nc2c1
InChIInChI=1S/C11H16N4O3/c1-8-2-3-15-9(4-8)12-10(14-15)13-11(5-16,6-17)7-18/h2-4,16-18H,5-7H2,1H3,(H,13,14)
InChIKeyJEGCMYPKHRQTQI-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.83
Rot. Bonds5

About 2-(hydroxymethyl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol

2-(hydroxymethyl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol (PubChem CID 114009070) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol
PubChem CID114009070
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-(hydroxymethyl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol
SMILESCc1ccn2nc(NC(CO)(CO)CO)nc2c1
InChIInChI=1S/C11H16N4O3/c1-8-2-3-15-9(4-8)12-10(14-15)13-11(5-16,6-17)7-18/h2-4,16-18H,5-7H2,1H3,(H,13,14)
InChIKeyJEGCMYPKHRQTQI-UHFFFAOYSA-N
XLogP-0.83
TPSA102.91 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-(hydroxymethyl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol with MolForge

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Related Compounds

2-ethyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol
CID 114010695
(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine
CID 116989782
7-methyl-N-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 83026136
2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]phenol
CID 114332664
[1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]cyclohexyl]methanol
CID 103967254
N-(2,6-dimethylpiperidin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 83026621
7-methyl-N-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 83025761
N-cycloheptyl-N'-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine
CID 115306802
N-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]ethanamine
CID 116989689
7-methyl-N-pent-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106231156
7-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106026994
2-methyl-3-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]oxolan-3-ol
CID 106102510

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol (CID 114009070) is 2-(hydroxymethyl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol is Cc1ccn2nc(NC(CO)(CO)CO)nc2c1.
What is the InChIKey of 2-(hydroxymethyl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol?
The InChIKey is JEGCMYPKHRQTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-8-2-3-15-9(4-8)12-10(14-15)13-11(5-16,6-17)7-18/h2-4,16-18H,5-7H2,1H3,(H,13,14).
What are the key properties of 2-(hydroxymethyl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol?
2-(hydroxymethyl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol has a molecular weight of 252.27 g/mol, XLogP of -0.83, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol is sourced from PubChem (CID 114009070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).