[2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-yl]methanol

C15H12ClF2N5O3 — CID 130302227

IUPAC[2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-yl]methanol
SMILESOCc1ccnc(OCc2cn(-c3ccc(Cl)c(OC(F)F)c3)nn2)n1
InChIInChI=1S/C15H12ClF2N5O3/c16-12-2-1-11(5-13(12)26-14(17)18)23-6-10(21-22-23)8-25-15-19-4-3-9(7-24)20-15/h1-6,14,24H,7-8H2
InChIKeyNOVZXTMURBFPSI-UHFFFAOYSA-N
MW383.74 g/mol
LogP2.38
Rot. Bonds7

About [2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-yl]methanol

[2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-yl]methanol (PubChem CID 130302227) has the molecular formula C15H12ClF2N5O3 and a molecular weight of 383.74 g/mol. Its IUPAC name is [2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-yl]methanol
PubChem CID130302227
Molecular FormulaC15H12ClF2N5O3
Molecular Weight383.74 g/mol
Exact Mass383.06
IUPAC Name[2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-yl]methanol
SMILESOCc1ccnc(OCc2cn(-c3ccc(Cl)c(OC(F)F)c3)nn2)n1
InChIInChI=1S/C15H12ClF2N5O3/c16-12-2-1-11(5-13(12)26-14(17)18)23-6-10(21-22-23)8-25-15-19-4-3-9(7-24)20-15/h1-6,14,24H,7-8H2
InChIKeyNOVZXTMURBFPSI-UHFFFAOYSA-N
XLogP2.38
TPSA95.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.74
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-yl]methanol?
The IUPAC name of [2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-yl]methanol (CID 130302227) is [2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-yl]methanol?
The canonical SMILES for [2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-yl]methanol is OCc1ccnc(OCc2cn(-c3ccc(Cl)c(OC(F)F)c3)nn2)n1.
What is the InChIKey of [2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-yl]methanol?
The InChIKey is NOVZXTMURBFPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N5O3/c16-12-2-1-11(5-13(12)26-14(17)18)23-6-10(21-22-23)8-25-15-19-4-3-9(7-24)20-15/h1-6,14,24H,7-8H2.
What are the key properties of [2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-yl]methanol?
[2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-yl]methanol has a molecular weight of 383.74 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-yl]methanol is sourced from PubChem (CID 130302227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).