2-[[1-[4-chloro-3-(1,1-difluoroethyl)phenyl]triazol-4-yl]methoxy]-5-cyclopropylpyrimidine

C18H16ClF2N5O — CID 130309822

IUPAC2-[[1-[4-chloro-3-(1,1-difluoroethyl)phenyl]triazol-4-yl]methoxy]-5-cyclopropylpyrimidine
SMILESCC(F)(F)c1cc(-n2cc(COc3ncc(C4CC4)cn3)nn2)ccc1Cl
InChIInChI=1S/C18H16ClF2N5O/c1-18(20,21)15-6-14(4-5-16(15)19)26-9-13(24-25-26)10-27-17-22-7-12(8-23-17)11-2-3-11/h4-9,11H,2-3,10H2,1H3
InChIKeyABZOGMJOEZNBIR-UHFFFAOYSA-N
MW391.81 g/mol
LogP4.28
Rot. Bonds6

About 2-[[1-[4-chloro-3-(1,1-difluoroethyl)phenyl]triazol-4-yl]methoxy]-5-cyclopropylpyrimidine

2-[[1-[4-chloro-3-(1,1-difluoroethyl)phenyl]triazol-4-yl]methoxy]-5-cyclopropylpyrimidine (PubChem CID 130309822) has the molecular formula C18H16ClF2N5O and a molecular weight of 391.81 g/mol. Its IUPAC name is 2-[[1-[4-chloro-3-(1,1-difluoroethyl)phenyl]triazol-4-yl]methoxy]-5-cyclopropylpyrimidine.

Molecular Properties

Compound Name2-[[1-[4-chloro-3-(1,1-difluoroethyl)phenyl]triazol-4-yl]methoxy]-5-cyclopropylpyrimidine
PubChem CID130309822
Molecular FormulaC18H16ClF2N5O
Molecular Weight391.81 g/mol
Exact Mass391.10
IUPAC Name2-[[1-[4-chloro-3-(1,1-difluoroethyl)phenyl]triazol-4-yl]methoxy]-5-cyclopropylpyrimidine
SMILESCC(F)(F)c1cc(-n2cc(COc3ncc(C4CC4)cn3)nn2)ccc1Cl
InChIInChI=1S/C18H16ClF2N5O/c1-18(20,21)15-6-14(4-5-16(15)19)26-9-13(24-25-26)10-27-17-22-7-12(8-23-17)11-2-3-11/h4-9,11H,2-3,10H2,1H3
InChIKeyABZOGMJOEZNBIR-UHFFFAOYSA-N
XLogP4.28
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[4-chloro-3-(1,1-difluoroethyl)phenyl]triazol-4-yl]methoxy]-5-cyclopropylpyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

2-[[1-[3-(1,1-difluoroethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130309435
2-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130309886
2-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine
CID 130309889
2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-(difluoromethoxy)pyrimidine
CID 130309396
2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-5-ol
CID 130320947
(1S)-1-[2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyrimidin-5-yl]ethanol
CID 175152325
2-[2-[[1-(3-cyclobutyl-4-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol
CID 130309519
N-[[1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methyl]cyclopropanamine
CID 66205668
2-chloro-5-[4-[(5-methoxypyrimidin-2-yl)oxymethyl]triazol-1-yl]-N-methylaniline
CID 130321075
2-[[1-[3-(1,1-difluoroethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidin-4-amine
CID 130309850
2-[[1-(4-chloro-3-methoxyphenyl)triazol-4-yl]methoxy]pyrimidine
CID 130311673
2-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130302319

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[4-chloro-3-(1,1-difluoroethyl)phenyl]triazol-4-yl]methoxy]-5-cyclopropylpyrimidine?
The IUPAC name of 2-[[1-[4-chloro-3-(1,1-difluoroethyl)phenyl]triazol-4-yl]methoxy]-5-cyclopropylpyrimidine (CID 130309822) is 2-[[1-[4-chloro-3-(1,1-difluoroethyl)phenyl]triazol-4-yl]methoxy]-5-cyclopropylpyrimidine.
What is the SMILES notation for 2-[[1-[4-chloro-3-(1,1-difluoroethyl)phenyl]triazol-4-yl]methoxy]-5-cyclopropylpyrimidine?
The canonical SMILES for 2-[[1-[4-chloro-3-(1,1-difluoroethyl)phenyl]triazol-4-yl]methoxy]-5-cyclopropylpyrimidine is CC(F)(F)c1cc(-n2cc(COc3ncc(C4CC4)cn3)nn2)ccc1Cl.
What is the InChIKey of 2-[[1-[4-chloro-3-(1,1-difluoroethyl)phenyl]triazol-4-yl]methoxy]-5-cyclopropylpyrimidine?
The InChIKey is ABZOGMJOEZNBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2N5O/c1-18(20,21)15-6-14(4-5-16(15)19)26-9-13(24-25-26)10-27-17-22-7-12(8-23-17)11-2-3-11/h4-9,11H,2-3,10H2,1H3.
What are the key properties of 2-[[1-[4-chloro-3-(1,1-difluoroethyl)phenyl]triazol-4-yl]methoxy]-5-cyclopropylpyrimidine?
2-[[1-[4-chloro-3-(1,1-difluoroethyl)phenyl]triazol-4-yl]methoxy]-5-cyclopropylpyrimidine has a molecular weight of 391.81 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[4-chloro-3-(1,1-difluoroethyl)phenyl]triazol-4-yl]methoxy]-5-cyclopropylpyrimidine is sourced from PubChem (CID 130309822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).