7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

C19H16ClFN4O2 — CID 3776124

IUPAC7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2=CC(c3c(F)cccc3Cl)n3ncnc3N2)c(OC)c1
InChIInChI=1S/C19H16ClFN4O2/c1-26-11-6-7-12(17(8-11)27-2)15-9-16(25-19(24-15)22-10-23-25)18-13(20)4-3-5-14(18)21/h3-10,16H,1-2H3,(H,22,23,24)
InChIKeyNWSPDTIIKQTODV-UHFFFAOYSA-N
MW386.81 g/mol
LogP4.14
Rot. Bonds4

About 7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 3776124) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is 7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID3776124
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC Name7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2=CC(c3c(F)cccc3Cl)n3ncnc3N2)c(OC)c1
InChIInChI=1S/C19H16ClFN4O2/c1-26-11-6-7-12(17(8-11)27-2)15-9-16(25-19(24-15)22-10-23-25)18-13(20)4-3-5-14(18)21/h3-10,16H,1-2H3,(H,22,23,24)
InChIKeyNWSPDTIIKQTODV-UHFFFAOYSA-N
XLogP4.14
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2950297
(7S)-5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(2,4-dimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136736624
(7R)-5-(2,4-dimethoxyphenyl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 930913
(7R)-7-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 929593
(7S)-5-(2-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2095266
(7R)-7-(2-chloro-6-fluorophenyl)-5-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 135726857
7-(2,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 5111382
5-(2,5-dimethoxyphenyl)-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3808450
(7S)-7-(2-chloro-6-fluorophenyl)-5-(3-nitrophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136736525
7-(4-chlorophenyl)-5-(3-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2949564
(7S)-7-(2,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 135726061
(7S)-7-(2-chlorophenyl)-5-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 708866

Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 3776124) is 7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(C2=CC(c3c(F)cccc3Cl)n3ncnc3N2)c(OC)c1.
What is the InChIKey of 7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is NWSPDTIIKQTODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c1-26-11-6-7-12(17(8-11)27-2)15-9-16(25-19(24-15)22-10-23-25)18-13(20)4-3-5-14(18)21/h3-10,16H,1-2H3,(H,22,23,24).
What are the key properties of 7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 386.81 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-6-fluorophenyl)-5-(2,4-dimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3776124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).