[(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-phenylmethanone

C19H15ClN4O — CID 136750746

About [(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-phenylmethanone

[(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-phenylmethanone (PubChem CID 136750746) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is [(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-phenylmethanone.

Molecular Properties

• Compound Name: [(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-phenylmethanone
• PubChem CID: 136750746
• Molecular Formula: C19H15ClN4O
• Molecular Weight: 350.81 g/mol
• Exact Mass: 350.09
• IUPAC Name: [(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-phenylmethanone
• SMILES: CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Cl)cc2)n2ncnc2N1
• InChI: InChI=1S/C19H15ClN4O/c1-12-16(18(25)14-5-3-2-4-6-14)17(13-7-9-15(20)10-8-13)24-19(23-12)21-11-22-24/h2-11,17H,1H3,(H,21,22,23)/t17-/m1/s1
• InChIKey: FIWRBYQPKWDGGU-QGZVFWFLSA-N
• XLogP: 4.10
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.81
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-phenylmethanone?

The IUPAC name of [(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-phenylmethanone (CID 136750746) is [(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-phenylmethanone.

What is the SMILES notation for [(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-phenylmethanone?

The canonical SMILES for [(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-phenylmethanone is CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Cl)cc2)n2ncnc2N1.

What is the InChIKey of [(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-phenylmethanone?

The InChIKey is FIWRBYQPKWDGGU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H15ClN4O/c1-12-16(18(25)14-5-3-2-4-6-14)17(13-7-9-15(20)10-8-13)24-19(23-12)21-11-22-24/h2-11,17H,1H3,(H,21,22,23)/t17-/m1/s1.

What are the key properties of [(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-phenylmethanone?

[(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-phenylmethanone has a molecular weight of 350.81 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-phenylmethanone is sourced from PubChem (CID 136750746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).