3-ethoxy-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazole-5-carboxamide

C14H20N6O3 — CID 138034752

IUPAC3-ethoxy-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazole-5-carboxamide
SMILESCCOc1cc(C(=O)NC2CCCn3nc(COC)nc32)[nH]n1
InChIInChI=1S/C14H20N6O3/c1-3-23-12-7-10(17-18-12)14(21)15-9-5-4-6-20-13(9)16-11(19-20)8-22-2/h7,9H,3-6,8H2,1-2H3,(H,15,21)(H,17,18)
InChIKeyBZZUMPMDIOTTHW-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.81
Rot. Bonds6

About 3-ethoxy-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazole-5-carboxamide

3-ethoxy-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazole-5-carboxamide (PubChem CID 138034752) has the molecular formula C14H20N6O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazole-5-carboxamide
PubChem CID138034752
Molecular FormulaC14H20N6O3
Molecular Weight320.35 g/mol
Exact Mass320.16
IUPAC Name3-ethoxy-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazole-5-carboxamide
SMILESCCOc1cc(C(=O)NC2CCCn3nc(COC)nc32)[nH]n1
InChIInChI=1S/C14H20N6O3/c1-3-23-12-7-10(17-18-12)14(21)15-9-5-4-6-20-13(9)16-11(19-20)8-22-2/h7,9H,3-6,8H2,1-2H3,(H,15,21)(H,17,18)
InChIKeyBZZUMPMDIOTTHW-UHFFFAOYSA-N
XLogP0.81
TPSA106.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-ethoxy-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

3-ethoxy-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1,2-oxazole-5-carboxamide
CID 126814542
N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 126789083
1-(2,3-dihydro-1H-inden-5-yl)-3-[(8R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 97063175
(8S)-N-(2-adamantyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 97233340
8-[[ethyl(methyl)sulfamoyl]amino]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 128996618
1-benzyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-methylpiperidine-4-carboxamide
CID 167867825
(8S)-N-[(1S,3R)-3-ethylcyclopentyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 124856463
2-(methoxymethyl)-8-[[methyl(propan-2-yl)sulfamoyl]amino]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 128968425
(2S)-N-tert-butyl-2-[[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]propanamide
CID 97226202
1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 71969595
N-[6-(4-fluorophenyl)pyridazin-3-yl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 133364902
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-methyl-3-propan-2-yl-1H-pyrazole-4-carboxamide
CID 84596679

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-ethoxy-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazole-5-carboxamide (CID 138034752) is 3-ethoxy-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-ethoxy-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-ethoxy-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazole-5-carboxamide is CCOc1cc(C(=O)NC2CCCn3nc(COC)nc32)[nH]n1.
What is the InChIKey of 3-ethoxy-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is BZZUMPMDIOTTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3/c1-3-23-12-7-10(17-18-12)14(21)15-9-5-4-6-20-13(9)16-11(19-20)8-22-2/h7,9H,3-6,8H2,1-2H3,(H,15,21)(H,17,18).
What are the key properties of 3-ethoxy-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazole-5-carboxamide?
3-ethoxy-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 138034752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).