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

C12H14N4O — CID 82557193

IUPAC3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol
SMILESNc1nc2n(n1)C(c1cccc(O)c1)CCC2
InChIInChI=1S/C12H14N4O/c13-12-14-11-6-2-5-10(16(11)15-12)8-3-1-4-9(17)7-8/h1,3-4,7,10,17H,2,5-6H2,(H2,13,15)
InChIKeyWDYRNISUNFKNNH-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.49
Rot. Bonds1

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

3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol (PubChem CID 82557193) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol.

Molecular Properties

Compound Name3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol
PubChem CID82557193
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol
SMILESNc1nc2n(n1)C(c1cccc(O)c1)CCC2
InChIInChI=1S/C12H14N4O/c13-12-14-11-6-2-5-10(16(11)15-12)8-3-1-4-9(17)7-8/h1,3-4,7,10,17H,2,5-6H2,(H2,13,15)
InChIKeyWDYRNISUNFKNNH-UHFFFAOYSA-N
XLogP1.49
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-[3-(aminomethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557225
methyl 3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate
CID 82557239
5-quinolin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557216
5-(2-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557197
5-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557182
2-(3-hydroxyphenyl)pyrrolidine-1-carbaldehyde
CID 174863712
3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol
CID 15293226
7-(3-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 136840246
2-(2-amino-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol
CID 82557398
3-(2-amino-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol
CID 82557260
3-cyclohexylphenol
CID 16036
3-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)phenol
CID 79510385

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol?
The IUPAC name of 3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol (CID 82557193) is 3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol.
What is the SMILES notation for 3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol?
The canonical SMILES for 3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol is Nc1nc2n(n1)C(c1cccc(O)c1)CCC2.
What is the InChIKey of 3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol?
The InChIKey is WDYRNISUNFKNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-12-14-11-6-2-5-10(16(11)15-12)8-3-1-4-9(17)7-8/h1,3-4,7,10,17H,2,5-6H2,(H2,13,15).
What are the key properties of 3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol?
3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol has a molecular weight of 230.27 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenol is sourced from PubChem (CID 82557193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).