3-(8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-1-amine

C10H18N4O — CID 83966839

IUPAC3-(8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-1-amine
SMILESCOC1CCCn2nc(CCCN)nc21
InChIInChI=1S/C10H18N4O/c1-15-8-4-3-7-14-10(8)12-9(13-14)5-2-6-11/h8H,2-7,11H2,1H3
InChIKeyYLJNUPRRGCRHPE-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.65
Rot. Bonds4

About 3-(8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-1-amine

3-(8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-1-amine (PubChem CID 83966839) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-1-amine
PubChem CID83966839
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-(8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-1-amine
SMILESCOC1CCCn2nc(CCCN)nc21
InChIInChI=1S/C10H18N4O/c1-15-8-4-3-7-14-10(8)12-9(13-14)5-2-6-11/h8H,2-7,11H2,1H3
InChIKeyYLJNUPRRGCRHPE-UHFFFAOYSA-N
XLogP0.65
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-1-amine with MolForge

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Related Compounds

(8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanamine
CID 83967046
2-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117157106
4-[(8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline
CID 83965265
1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanamine
CID 112711432
[2-(3-methoxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
CID 117156094
8-methyl-2-(thian-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157749
8-methyl-2-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157737
2-(methoxymethyl)-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 75383372
[2-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol
CID 117157579
2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117157904
(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
(8S)-N-(2-adamantyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 97233340

Frequently Asked Questions

What is the IUPAC name of 3-(8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-1-amine?
The IUPAC name of 3-(8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-1-amine (CID 83966839) is 3-(8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-1-amine.
What is the SMILES notation for 3-(8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-1-amine?
The canonical SMILES for 3-(8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-1-amine is COC1CCCn2nc(CCCN)nc21.
What is the InChIKey of 3-(8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-1-amine?
The InChIKey is YLJNUPRRGCRHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-15-8-4-3-7-14-10(8)12-9(13-14)5-2-6-11/h8H,2-7,11H2,1H3.
What are the key properties of 3-(8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-1-amine?
3-(8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-1-amine has a molecular weight of 210.28 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-1-amine is sourced from PubChem (CID 83966839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).