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

C14H18N4O — CID 82568144

IUPAC4-[[5-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol
SMILESNCC1CCCc2nc(Cc3ccc(O)cc3)nn21
InChIInChI=1S/C14H18N4O/c15-9-11-2-1-3-14-16-13(17-18(11)14)8-10-4-6-12(19)7-5-10/h4-7,11,19H,1-3,8-9,15H2
InChIKeyAGYPKXWHMOHTSW-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.41
Rot. Bonds3

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

4-[[5-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol (PubChem CID 82568144) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[[5-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[5-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol
PubChem CID82568144
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-[[5-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol
SMILESNCC1CCCc2nc(Cc3ccc(O)cc3)nn21
InChIInChI=1S/C14H18N4O/c15-9-11-2-1-3-14-16-13(17-18(11)14)8-10-4-6-12(19)7-5-10/h4-7,11,19H,1-3,8-9,15H2
InChIKeyAGYPKXWHMOHTSW-UHFFFAOYSA-N
XLogP1.41
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

[2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol
CID 117155065
(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanamine
CID 83867313
2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117155771
2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117154834
2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82567904
[2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol
CID 117155048
3-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol
CID 117150371
2-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanamine
CID 83866071
4-[(7-amino-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methyl]phenol
CID 117156988
2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117155703
1-(2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-amine
CID 83866065
4-[(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]phenol
CID 117132869

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol?
The IUPAC name of 4-[[5-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol (CID 82568144) is 4-[[5-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol.
What is the SMILES notation for 4-[[5-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol?
The canonical SMILES for 4-[[5-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol is NCC1CCCc2nc(Cc3ccc(O)cc3)nn21.
What is the InChIKey of 4-[[5-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol?
The InChIKey is AGYPKXWHMOHTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-9-11-2-1-3-14-16-13(17-18(11)14)8-10-4-6-12(19)7-5-10/h4-7,11,19H,1-3,8-9,15H2.
What are the key properties of 4-[[5-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol?
4-[[5-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol has a molecular weight of 258.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenol is sourced from PubChem (CID 82568144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).