5-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenol

C14H18N4O2 — CID 105392360

IUPAC5-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenol
SMILESCOc1ccc(-c2nnc3n2CCC(CN)C3)cc1O
InChIInChI=1S/C14H18N4O2/c1-20-12-3-2-10(7-11(12)19)14-17-16-13-6-9(8-15)4-5-18(13)14/h2-3,7,9,19H,4-6,8,15H2,1H3
InChIKeyTXPMFQCHMSSPJT-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.18
Rot. Bonds3

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

5-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenol (PubChem CID 105392360) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenol
PubChem CID105392360
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenol
SMILESCOc1ccc(-c2nnc3n2CCC(CN)C3)cc1O
InChIInChI=1S/C14H18N4O2/c1-20-12-3-2-10(7-11(12)19)14-17-16-13-6-9(8-15)4-5-18(13)14/h2-3,7,9,19H,4-6,8,15H2,1H3
InChIKeyTXPMFQCHMSSPJT-UHFFFAOYSA-N
XLogP1.18
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

[3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392393
(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine
CID 83871112
methyl 3-(4-ethoxy-3-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 154780795
[3-(2,6-difluoro-3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392362
3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
CID 117151802
(4-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)methanamine
CID 105488431
[3-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 105392236
1-[4-(aminomethyl)piperidin-1-yl]-3-(3,4-dimethoxyphenyl)sulfanylpropan-1-one
CID 119423604
[3-(2-cyclopentylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392313
2-[1-(3-hydroxy-4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 79672061
[4-(2-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 79732941
[3-(1-methylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 106831429

Frequently Asked Questions

What is the IUPAC name of 5-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenol?
The IUPAC name of 5-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenol (CID 105392360) is 5-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenol.
What is the SMILES notation for 5-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenol?
The canonical SMILES for 5-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenol is COc1ccc(-c2nnc3n2CCC(CN)C3)cc1O.
What is the InChIKey of 5-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenol?
The InChIKey is TXPMFQCHMSSPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-20-12-3-2-10(7-11(12)19)14-17-16-13-6-9(8-15)4-5-18(13)14/h2-3,7,9,19H,4-6,8,15H2,1H3.
What are the key properties of 5-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenol?
5-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenol has a molecular weight of 274.32 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenol is sourced from PubChem (CID 105392360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).