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

C19H18F3N3O — CID 42635534

IUPAC2-[3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
SMILESCC(C)(O)c1cccn2c(C3(c4ccc(C(F)(F)F)cc4)CC3)nnc12
InChIInChI=1S/C19H18F3N3O/c1-17(2,26)14-4-3-11-25-15(14)23-24-16(25)18(9-10-18)12-5-7-13(8-6-12)19(20,21)22/h3-8,11,26H,9-10H2,1-2H3
InChIKeyADEUDGQJUNQBGE-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.06
Rot. Bonds3

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

2-[3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (PubChem CID 42635534) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-[3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
PubChem CID42635534
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name2-[3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
SMILESCC(C)(O)c1cccn2c(C3(c4ccc(C(F)(F)F)cc4)CC3)nnc12
InChIInChI=1S/C19H18F3N3O/c1-17(2,26)14-4-3-11-25-15(14)23-24-16(25)18(9-10-18)12-5-7-13(8-6-12)19(20,21)22/h3-8,11,26H,9-10H2,1-2H3
InChIKeyADEUDGQJUNQBGE-UHFFFAOYSA-N
XLogP4.06
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The IUPAC name of 2-[3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (CID 42635534) is 2-[3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The canonical SMILES for 2-[3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is CC(C)(O)c1cccn2c(C3(c4ccc(C(F)(F)F)cc4)CC3)nnc12.
What is the InChIKey of 2-[3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The InChIKey is ADEUDGQJUNQBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-17(2,26)14-4-3-11-25-15(14)23-24-16(25)18(9-10-18)12-5-7-13(8-6-12)19(20,21)22/h3-8,11,26H,9-10H2,1-2H3.
What are the key properties of 2-[3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
2-[3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol has a molecular weight of 361.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is sourced from PubChem (CID 42635534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).