3-[(8-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol

C13H16N4O — CID 117152920

IUPAC3-[(8-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
SMILESNC1CCCn2c(Cc3cccc(O)c3)nnc21
InChIInChI=1S/C13H16N4O/c14-11-5-2-6-17-12(15-16-13(11)17)8-9-3-1-4-10(18)7-9/h1,3-4,7,11,18H,2,5-6,8,14H2
InChIKeyKYPSDPGUTNGXLA-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.37
Rot. Bonds2

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

3-[(8-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol (PubChem CID 117152920) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-[(8-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(8-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
PubChem CID117152920
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-[(8-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
SMILESNC1CCCn2c(Cc3cccc(O)c3)nnc21
InChIInChI=1S/C13H16N4O/c14-11-5-2-6-17-12(15-16-13(11)17)8-9-3-1-4-10(18)7-9/h1,3-4,7,11,18H,2,5-6,8,14H2
InChIKeyKYPSDPGUTNGXLA-UHFFFAOYSA-N
XLogP1.37
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

[3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol
CID 117152265
3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117152949
3-[[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]phenol
CID 105392056
3-[(3-hydroxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 81496271
3-[(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]phenol
CID 117158112
1-[[5-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 126426589
3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139567
3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 71755432
3-[(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]phenol
CID 114356260
3-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol
CID 117249982
3-[[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]phenol
CID 117143369
3-(4-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117158739

Frequently Asked Questions

What is the IUPAC name of 3-[(8-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol?
The IUPAC name of 3-[(8-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol (CID 117152920) is 3-[(8-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol.
What is the SMILES notation for 3-[(8-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol?
The canonical SMILES for 3-[(8-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol is NC1CCCn2c(Cc3cccc(O)c3)nnc21.
What is the InChIKey of 3-[(8-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol?
The InChIKey is KYPSDPGUTNGXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-11-5-2-6-17-12(15-16-13(11)17)8-9-3-1-4-10(18)7-9/h1,3-4,7,11,18H,2,5-6,8,14H2.
What are the key properties of 3-[(8-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol?
3-[(8-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol has a molecular weight of 244.30 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol is sourced from PubChem (CID 117152920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).