[5-[(6-chloropyridazin-3-yl)oxymethyl]-1-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol

C15H12ClF2N5O2 — CID 167438912

IUPAC[5-[(6-chloropyridazin-3-yl)oxymethyl]-1-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol
SMILESOCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(Cl)nn1
InChIInChI=1S/C15H12ClF2N5O2/c16-13-5-6-14(21-20-13)25-8-12-11(7-24)19-22-23(12)10-3-1-9(2-4-10)15(17)18/h1-6,15,24H,7-8H2
InChIKeyPMHRGOMMYJKPRD-UHFFFAOYSA-N
MW367.74 g/mol
LogP2.72
Rot. Bonds6

About [5-[(6-chloropyridazin-3-yl)oxymethyl]-1-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol

[5-[(6-chloropyridazin-3-yl)oxymethyl]-1-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol (PubChem CID 167438912) has the molecular formula C15H12ClF2N5O2 and a molecular weight of 367.74 g/mol. Its IUPAC name is [5-[(6-chloropyridazin-3-yl)oxymethyl]-1-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[(6-chloropyridazin-3-yl)oxymethyl]-1-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol
PubChem CID167438912
Molecular FormulaC15H12ClF2N5O2
Molecular Weight367.74 g/mol
Exact Mass367.06
IUPAC Name[5-[(6-chloropyridazin-3-yl)oxymethyl]-1-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol
SMILESOCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(Cl)nn1
InChIInChI=1S/C15H12ClF2N5O2/c16-13-5-6-14(21-20-13)25-8-12-11(7-24)19-22-23(12)10-3-1-9(2-4-10)15(17)18/h1-6,15,24H,7-8H2
InChIKeyPMHRGOMMYJKPRD-UHFFFAOYSA-N
XLogP2.72
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.74
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[(6-chloropyridazin-3-yl)oxymethyl]-1-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol?
The IUPAC name of [5-[(6-chloropyridazin-3-yl)oxymethyl]-1-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol (CID 167438912) is [5-[(6-chloropyridazin-3-yl)oxymethyl]-1-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol.
What is the SMILES notation for [5-[(6-chloropyridazin-3-yl)oxymethyl]-1-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol?
The canonical SMILES for [5-[(6-chloropyridazin-3-yl)oxymethyl]-1-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol is OCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(Cl)nn1.
What is the InChIKey of [5-[(6-chloropyridazin-3-yl)oxymethyl]-1-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol?
The InChIKey is PMHRGOMMYJKPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N5O2/c16-13-5-6-14(21-20-13)25-8-12-11(7-24)19-22-23(12)10-3-1-9(2-4-10)15(17)18/h1-6,15,24H,7-8H2.
What are the key properties of [5-[(6-chloropyridazin-3-yl)oxymethyl]-1-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol?
[5-[(6-chloropyridazin-3-yl)oxymethyl]-1-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol has a molecular weight of 367.74 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(6-chloropyridazin-3-yl)oxymethyl]-1-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol is sourced from PubChem (CID 167438912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).