1-(2,4-dichlorophenyl)-3-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-ol

C16H14Cl2N4O — CID 658708

IUPAC1-(2,4-dichlorophenyl)-3-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-ol
SMILESOC(c1ccc(Cl)cc1Cl)C(Cc1cccnc1)n1cncn1
InChIInChI=1S/C16H14Cl2N4O/c17-12-3-4-13(14(18)7-12)16(23)15(22-10-20-9-21-22)6-11-2-1-5-19-8-11/h1-5,7-10,15-16,23H,6H2
InChIKeyYQWBIALUEIMUKQ-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.50
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-3-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-ol

1-(2,4-dichlorophenyl)-3-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-ol (PubChem CID 658708) has the molecular formula C16H14Cl2N4O and a molecular weight of 349.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-ol
PubChem CID658708
Molecular FormulaC16H14Cl2N4O
Molecular Weight349.22 g/mol
Exact Mass348.05
IUPAC Name1-(2,4-dichlorophenyl)-3-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-ol
SMILESOC(c1ccc(Cl)cc1Cl)C(Cc1cccnc1)n1cncn1
InChIInChI=1S/C16H14Cl2N4O/c17-12-3-4-13(14(18)7-12)16(23)15(22-10-20-9-21-22)6-11-2-1-5-19-8-11/h1-5,7-10,15-16,23H,6H2
InChIKeyYQWBIALUEIMUKQ-UHFFFAOYSA-N
XLogP3.50
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-ol?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-ol (CID 658708) is 1-(2,4-dichlorophenyl)-3-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-ol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-ol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-ol is OC(c1ccc(Cl)cc1Cl)C(Cc1cccnc1)n1cncn1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-ol?
The InChIKey is YQWBIALUEIMUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O/c17-12-3-4-13(14(18)7-12)16(23)15(22-10-20-9-21-22)6-11-2-1-5-19-8-11/h1-5,7-10,15-16,23H,6H2.
What are the key properties of 1-(2,4-dichlorophenyl)-3-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-ol?
1-(2,4-dichlorophenyl)-3-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-ol has a molecular weight of 349.22 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-ol is sourced from PubChem (CID 658708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).