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

C18H14ClFN4 — CID 4086048

IUPAC7-(2-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2n(n1)C(c1ccccc1Cl)C=C(c1ccc(F)cc1)N2
InChIInChI=1S/C18H14ClFN4/c1-11-21-18-22-16(12-6-8-13(20)9-7-12)10-17(24(18)23-11)14-4-2-3-5-15(14)19/h2-10,17H,1H3,(H,21,22,23)
InChIKeyAPDZLMQBVSPXOO-UHFFFAOYSA-N
MW340.79 g/mol
LogP4.44
Rot. Bonds2

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

7-(2-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 4086048) has the molecular formula C18H14ClFN4 and a molecular weight of 340.79 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID4086048
Molecular FormulaC18H14ClFN4
Molecular Weight340.79 g/mol
Exact Mass340.09
IUPAC Name7-(2-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2n(n1)C(c1ccccc1Cl)C=C(c1ccc(F)cc1)N2
InChIInChI=1S/C18H14ClFN4/c1-11-21-18-22-16(12-6-8-13(20)9-7-12)10-17(24(18)23-11)14-4-2-3-5-15(14)19/h2-10,17H,1H3,(H,21,22,23)
InChIKeyAPDZLMQBVSPXOO-UHFFFAOYSA-N
XLogP4.44
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 4086048) is 7-(2-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2n(n1)C(c1ccccc1Cl)C=C(c1ccc(F)cc1)N2.
What is the InChIKey of 7-(2-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is APDZLMQBVSPXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4/c1-11-21-18-22-16(12-6-8-13(20)9-7-12)10-17(24(18)23-11)14-4-2-3-5-15(14)19/h2-10,17H,1H3,(H,21,22,23).
What are the key properties of 7-(2-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(2-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 340.79 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4086048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).