2-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol

C12H12ClN3O — CID 117128570

IUPAC2-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol
SMILESOC1CCn2nc(-c3cccc(Cl)c3)nc2C1
InChIInChI=1S/C12H12ClN3O/c13-9-3-1-2-8(6-9)12-14-11-7-10(17)4-5-16(11)15-12/h1-3,6,10,17H,4-5,7H2
InChIKeyDQYVBQOHBTVOKI-UHFFFAOYSA-N
MW249.70 g/mol
LogP1.91
Rot. Bonds1

About 2-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol

2-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol (PubChem CID 117128570) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol
PubChem CID117128570
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name2-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol
SMILESOC1CCn2nc(-c3cccc(Cl)c3)nc2C1
InChIInChI=1S/C12H12ClN3O/c13-9-3-1-2-8(6-9)12-14-11-7-10(17)4-5-16(11)15-12/h1-3,6,10,17H,4-5,7H2
InChIKeyDQYVBQOHBTVOKI-UHFFFAOYSA-N
XLogP1.91
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117127928
[2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
CID 117156317
[2-(3-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
CID 117156323
[2-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol
CID 117155092
2-(3-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82567820
(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methanol
CID 117156315
5-(3-chlorophenyl)-2-methyl-1,2,4-triazole-3-carboxylic acid
CID 83897712
(3S)-1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidin-3-ol
CID 111448298
2-(3-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol
CID 115066484
2-(3-chlorophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 163798613
7-bromo-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117135366
[2-(3-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol
CID 117153661

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol?
The IUPAC name of 2-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol (CID 117128570) is 2-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol?
The canonical SMILES for 2-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol is OC1CCn2nc(-c3cccc(Cl)c3)nc2C1.
What is the InChIKey of 2-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol?
The InChIKey is DQYVBQOHBTVOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-9-3-1-2-8(6-9)12-14-11-7-10(17)4-5-16(11)15-12/h1-3,6,10,17H,4-5,7H2.
What are the key properties of 2-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol?
2-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol has a molecular weight of 249.70 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol is sourced from PubChem (CID 117128570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).