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

C12H12ClN3O — CID 117128680

IUPAC2-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
SMILESOC1CCCc2nc(-c3ccc(Cl)cc3)nn21
InChIInChI=1S/C12H12ClN3O/c13-9-6-4-8(5-7-9)12-14-10-2-1-3-11(17)16(10)15-12/h4-7,11,17H,1-3H2
InChIKeyHHVHFHGBQFADGS-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.43
Rot. Bonds1

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

2-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol (PubChem CID 117128680) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
PubChem CID117128680
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name2-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
SMILESOC1CCCc2nc(-c3ccc(Cl)cc3)nn21
InChIInChI=1S/C12H12ClN3O/c13-9-6-4-8(5-7-9)12-14-10-2-1-3-11(17)16(10)15-12/h4-7,11,17H,1-3H2
InChIKeyHHVHFHGBQFADGS-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(3-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 117128618
2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 117128553
2-(4-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117128477
[2-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol
CID 117155092
5-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117155823
methyl 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 82568091
2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-amine
CID 117128482
(5R)-2-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 129462527
5-(2H-benzotriazol-5-yl)-2-(4-chlorophenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 123624565
2-[(1-methylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 117155326
2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 117155272
2-(piperidin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 117155534

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol?
The IUPAC name of 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol (CID 117128680) is 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol?
The canonical SMILES for 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol is OC1CCCc2nc(-c3ccc(Cl)cc3)nn21.
What is the InChIKey of 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol?
The InChIKey is HHVHFHGBQFADGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-9-6-4-8(5-7-9)12-14-10-2-1-3-11(17)16(10)15-12/h4-7,11,17H,1-3H2.
What are the key properties of 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol?
2-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol has a molecular weight of 249.70 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol is sourced from PubChem (CID 117128680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).