2-[(3-methoxyphenoxy)methyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C15H20N4O2 — CID 83965631

IUPAC2-[(3-methoxyphenoxy)methyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCOc1cccc(OCc2nc3n(n2)C(C)CCC3N)c1
InChIInChI=1S/C15H20N4O2/c1-10-6-7-13(16)15-17-14(18-19(10)15)9-21-12-5-3-4-11(8-12)20-2/h3-5,8,10,13H,6-7,9,16H2,1-2H3
InChIKeyPKYATMDKHJZGKO-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.22
Rot. Bonds4

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

2-[(3-methoxyphenoxy)methyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 83965631) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[(3-methoxyphenoxy)methyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenoxy)methyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID83965631
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[(3-methoxyphenoxy)methyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCOc1cccc(OCc2nc3n(n2)C(C)CCC3N)c1
InChIInChI=1S/C15H20N4O2/c1-10-6-7-13(16)15-17-14(18-19(10)15)9-21-12-5-3-4-11(8-12)20-2/h3-5,8,10,13H,6-7,9,16H2,1-2H3
InChIKeyPKYATMDKHJZGKO-UHFFFAOYSA-N
XLogP2.22
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[(3-methoxyphenoxy)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 83965706
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 124687501
4-[(3-methoxyphenoxy)methyl]-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 663418
[2-[(3-methoxyphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656141
methyl 2-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117257668
5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole
CID 117188397
[2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 95461249
5-(1,3-benzodioxol-5-yl)-3-[(3-methoxyphenoxy)methyl]-1-methyl-1,2,4-triazole
CID 72892764
4-[(3-methoxyphenoxy)methyl]-11-methyl-12-phenyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 19573304
2-[(3-methoxyphenoxy)methyl]-5-methyl-1,3-thiazole
CID 117188251
1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole
CID 117188658
1-[3-(3-methoxyphenoxy)propyl]piperidin-4-amine
CID 28802855

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenoxy)methyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of 2-[(3-methoxyphenoxy)methyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 83965631) is 2-[(3-methoxyphenoxy)methyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for 2-[(3-methoxyphenoxy)methyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for 2-[(3-methoxyphenoxy)methyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is COc1cccc(OCc2nc3n(n2)C(C)CCC3N)c1.
What is the InChIKey of 2-[(3-methoxyphenoxy)methyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is PKYATMDKHJZGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-6-7-13(16)15-17-14(18-19(10)15)9-21-12-5-3-4-11(8-12)20-2/h3-5,8,10,13H,6-7,9,16H2,1-2H3.
What are the key properties of 2-[(3-methoxyphenoxy)methyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
2-[(3-methoxyphenoxy)methyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 288.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenoxy)methyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 83965631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).