5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

C18H13ClF2N4O — CID 3340787

IUPAC5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)Oc1ccccc1C1C=C(c2ccc(Cl)cc2)Nc2ncnn21
InChIInChI=1S/C18H13ClF2N4O/c19-12-7-5-11(6-8-12)14-9-15(25-18(24-14)22-10-23-25)13-3-1-2-4-16(13)26-17(20)21/h1-10,15,17H,(H,22,23,24)
InChIKeyAYACJSIUYYHDAD-UHFFFAOYSA-N
MW374.78 g/mol
LogP4.59
Rot. Bonds4

About 5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 3340787) has the molecular formula C18H13ClF2N4O and a molecular weight of 374.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID3340787
Molecular FormulaC18H13ClF2N4O
Molecular Weight374.78 g/mol
Exact Mass374.07
IUPAC Name5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)Oc1ccccc1C1C=C(c2ccc(Cl)cc2)Nc2ncnn21
InChIInChI=1S/C18H13ClF2N4O/c19-12-7-5-11(6-8-12)14-9-15(25-18(24-14)22-10-23-25)13-3-1-2-4-16(13)26-17(20)21/h1-10,15,17H,(H,22,23,24)
InChIKeyAYACJSIUYYHDAD-UHFFFAOYSA-N
XLogP4.59
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 3340787) is 5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)Oc1ccccc1C1C=C(c2ccc(Cl)cc2)Nc2ncnn21.
What is the InChIKey of 5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is AYACJSIUYYHDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N4O/c19-12-7-5-11(6-8-12)14-9-15(25-18(24-14)22-10-23-25)13-3-1-2-4-16(13)26-17(20)21/h1-10,15,17H,(H,22,23,24).
What are the key properties of 5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 374.78 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3340787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).