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

C13H14ClN3O — CID 117150317

IUPAC3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol
SMILESOC1CCCc2nnc(Cc3ccccc3Cl)n21
InChIInChI=1S/C13H14ClN3O/c14-10-5-2-1-4-9(10)8-12-16-15-11-6-3-7-13(18)17(11)12/h1-2,4-5,13,18H,3,6-8H2
InChIKeyGTNKVPFALWMFFP-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.35
Rot. Bonds2

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

3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol (PubChem CID 117150317) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol
PubChem CID117150317
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol
SMILESOC1CCCc2nnc(Cc3ccccc3Cl)n21
InChIInChI=1S/C13H14ClN3O/c14-10-5-2-1-4-9(10)8-12-16-15-11-6-3-7-13(18)17(11)12/h1-2,4-5,13,18H,3,6-8H2
InChIKeyGTNKVPFALWMFFP-UHFFFAOYSA-N
XLogP2.35
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol
CID 117150294
3-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol
CID 117150371
3-(2-hydroxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol
CID 117149769
2-[[5-[(2-chlorophenyl)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115392102
3-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol
CID 117150439
3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol
CID 117152943
3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117152949
2-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-amine
CID 117155709
3-[(2-chlorophenyl)methyl]-6-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 56761241
3-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol
CID 117150494
2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976349
5-[(2-chlorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxamide
CID 19904227

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol (CID 117150317) is 3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol is OC1CCCc2nnc(Cc3ccccc3Cl)n21.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol?
The InChIKey is GTNKVPFALWMFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-10-5-2-1-4-9(10)8-12-16-15-11-6-3-7-13(18)17(11)12/h1-2,4-5,13,18H,3,6-8H2.
What are the key properties of 3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol?
3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol has a molecular weight of 263.73 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol is sourced from PubChem (CID 117150317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).