(2-methylphenyl)-[(5R,7R)-5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]methanone

C20H20N4O — CID 7337655

IUPAC(2-methylphenyl)-[(5R,7R)-5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]methanone
SMILESCc1ccccc1C(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1C
InChIInChI=1S/C20H20N4O/c1-14-8-6-7-11-17(14)19(25)23-15(2)12-18(16-9-4-3-5-10-16)24-20(23)21-13-22-24/h3-11,13,15,18H,12H2,1-2H3/t15-,18-/m1/s1
InChIKeyVSTSQFZJIOPSPW-CRAIPNDOSA-N
MW332.41 g/mol
LogP3.61
Rot. Bonds2

About (2-methylphenyl)-[(5R,7R)-5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]methanone

(2-methylphenyl)-[(5R,7R)-5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]methanone (PubChem CID 7337655) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is (2-methylphenyl)-[(5R,7R)-5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[(5R,7R)-5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]methanone
PubChem CID7337655
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name(2-methylphenyl)-[(5R,7R)-5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]methanone
SMILESCc1ccccc1C(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1C
InChIInChI=1S/C20H20N4O/c1-14-8-6-7-11-17(14)19(25)23-15(2)12-18(16-9-4-3-5-10-16)24-20(23)21-13-22-24/h3-11,13,15,18H,12H2,1-2H3/t15-,18-/m1/s1
InChIKeyVSTSQFZJIOPSPW-CRAIPNDOSA-N
XLogP3.61
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[(5R,7R)-5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]methanone?
The IUPAC name of (2-methylphenyl)-[(5R,7R)-5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]methanone (CID 7337655) is (2-methylphenyl)-[(5R,7R)-5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[(5R,7R)-5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[(5R,7R)-5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]methanone is Cc1ccccc1C(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1C.
What is the InChIKey of (2-methylphenyl)-[(5R,7R)-5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]methanone?
The InChIKey is VSTSQFZJIOPSPW-CRAIPNDOSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-8-6-7-11-17(14)19(25)23-15(2)12-18(16-9-4-3-5-10-16)24-20(23)21-13-22-24/h3-11,13,15,18H,12H2,1-2H3/t15-,18-/m1/s1.
What are the key properties of (2-methylphenyl)-[(5R,7R)-5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]methanone?
(2-methylphenyl)-[(5R,7R)-5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]methanone has a molecular weight of 332.41 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[(5R,7R)-5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]methanone is sourced from PubChem (CID 7337655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).