3-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol

C18H18ClN3O — CID 42634797

IUPAC3-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol
SMILESOCCCc1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12
InChIInChI=1S/C18H18ClN3O/c19-15-7-5-14(6-8-15)18(9-10-18)17-21-20-16-13(4-2-12-23)3-1-11-22(16)17/h1,3,5-8,11,23H,2,4,9-10,12H2
InChIKeyUWVBWBKYVHHNLM-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.39
Rot. Bonds5

About 3-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol

3-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol (PubChem CID 42634797) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is 3-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol
PubChem CID42634797
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name3-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol
SMILESOCCCc1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12
InChIInChI=1S/C18H18ClN3O/c19-15-7-5-14(6-8-15)18(9-10-18)17-21-20-16-13(4-2-12-23)3-1-11-22(16)17/h1,3,5-8,11,23H,2,4,9-10,12H2
InChIKeyUWVBWBKYVHHNLM-UHFFFAOYSA-N
XLogP3.39
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol with MolForge

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Related Compounds

2-(3-(1-(4-Chlorophenyl)cyclopropyl)-(1,2,4)triazolo(4,3-a)pyridin-8-yl)propan-2-ol
CID 42634627
Bms-823778
CID 54669979
3-[3-[1-(4-Chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-methylbutan-1-ol
CID 57652306
3-[1-(4-Chlorophenyl)cyclopropyl]-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 91039859
3-[1-(4-Chlorophenyl)cyclopropyl]-8-Cyclopropyl[1,2,4]triazolo[4,3-A]pyridine
CID 118709259
1-[3-[1-(4-Chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethane-1,2-diol
CID 42634126
[3-[1-(4-Chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol
CID 42634800
[3-[1-(4-Chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-cyclopropylmethanol
CID 42634801
4-[3-[1-(4-Chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-methylbutan-2-ol
CID 42634802
3-[1-(4-Chlorophenyl)cyclopropyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 118709260
3-(4-Chlorophenyl)[1,2,4]triazolo[4,3-a]pyridine
CID 1507415
3-[1-(4-Chlorophenyl)cyclopropyl]-8-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine
CID 118709258

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol?
The IUPAC name of 3-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol (CID 42634797) is 3-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol.
What is the SMILES notation for 3-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol?
The canonical SMILES for 3-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol is OCCCc1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12.
What is the InChIKey of 3-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol?
The InChIKey is UWVBWBKYVHHNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c19-15-7-5-14(6-8-15)18(9-10-18)17-21-20-16-13(4-2-12-23)3-1-11-22(16)17/h1,3,5-8,11,23H,2,4,9-10,12H2.
What are the key properties of 3-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol?
3-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol has a molecular weight of 327.82 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol is sourced from PubChem (CID 42634797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).