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

C18H17Cl2N3O — CID 42634986

IUPAC2-[3-[1-(2,4-dichlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
SMILESCC(C)(O)c1cccn2c(C3(c4ccc(Cl)cc4Cl)CC3)nnc12
InChIInChI=1S/C18H17Cl2N3O/c1-17(2,24)13-4-3-9-23-15(13)21-22-16(23)18(7-8-18)12-6-5-11(19)10-14(12)20/h3-6,9-10,24H,7-8H2,1-2H3
InChIKeyACVXFMLBYKZUDI-UHFFFAOYSA-N
MW362.26 g/mol
LogP4.34
Rot. Bonds3

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

2-[3-[1-(2,4-dichlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (PubChem CID 42634986) has the molecular formula C18H17Cl2N3O and a molecular weight of 362.26 g/mol. Its IUPAC name is 2-[3-[1-(2,4-dichlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[1-(2,4-dichlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
PubChem CID42634986
Molecular FormulaC18H17Cl2N3O
Molecular Weight362.26 g/mol
Exact Mass361.07
IUPAC Name2-[3-[1-(2,4-dichlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
SMILESCC(C)(O)c1cccn2c(C3(c4ccc(Cl)cc4Cl)CC3)nnc12
InChIInChI=1S/C18H17Cl2N3O/c1-17(2,24)13-4-3-9-23-15(13)21-22-16(23)18(7-8-18)12-6-5-11(19)10-14(12)20/h3-6,9-10,24H,7-8H2,1-2H3
InChIKeyACVXFMLBYKZUDI-UHFFFAOYSA-N
XLogP4.34
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2,4-dichlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The IUPAC name of 2-[3-[1-(2,4-dichlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (CID 42634986) is 2-[3-[1-(2,4-dichlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[1-(2,4-dichlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The canonical SMILES for 2-[3-[1-(2,4-dichlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is CC(C)(O)c1cccn2c(C3(c4ccc(Cl)cc4Cl)CC3)nnc12.
What is the InChIKey of 2-[3-[1-(2,4-dichlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The InChIKey is ACVXFMLBYKZUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O/c1-17(2,24)13-4-3-9-23-15(13)21-22-16(23)18(7-8-18)12-6-5-11(19)10-14(12)20/h3-6,9-10,24H,7-8H2,1-2H3.
What are the key properties of 2-[3-[1-(2,4-dichlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
2-[3-[1-(2,4-dichlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol has a molecular weight of 362.26 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2,4-dichlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is sourced from PubChem (CID 42634986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).