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

C20H20N4O2 — CID 45142675

IUPAC(2-methoxyphenyl)-(5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone
SMILESCOc1ccccc1C(=O)N1c2ncnn2C(c2ccccc2)CC1C
InChIInChI=1S/C20H20N4O2/c1-14-12-17(15-8-4-3-5-9-15)24-20(21-13-22-24)23(14)19(25)16-10-6-7-11-18(16)26-2/h3-11,13-14,17H,12H2,1-2H3
InChIKeyWTQMTYGPIBYPRA-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.32
Rot. Bonds3

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

(2-methoxyphenyl)-(5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone (PubChem CID 45142675) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (2-methoxyphenyl)-(5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-(5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone
PubChem CID45142675
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(2-methoxyphenyl)-(5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone
SMILESCOc1ccccc1C(=O)N1c2ncnn2C(c2ccccc2)CC1C
InChIInChI=1S/C20H20N4O2/c1-14-12-17(15-8-4-3-5-9-15)24-20(21-13-22-24)23(14)19(25)16-10-6-7-11-18(16)26-2/h3-11,13-14,17H,12H2,1-2H3
InChIKeyWTQMTYGPIBYPRA-UHFFFAOYSA-N
XLogP3.32
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxyphenyl)-[(5R,7S)-5-(4-methoxyphenyl)-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]methanone
CID 41339854
(2-chlorophenyl)-[(5R,7S)-5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]methanone
CID 7337662
(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
(4-methoxyphenyl)-[(5R,7S)-5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]methanone
CID 7337639
[(5S,7S)-7-(2-methoxyphenyl)-5-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-phenylmethanone
CID 7370642
1-[7-(4-methoxyphenyl)-5-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 6501219
1-[(5S,7S)-7-(2-methoxyphenyl)-5-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 7370654
[(5S,7S)-5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-(3-nitrophenyl)methanone
CID 7338643
(4-methoxyphenyl)-[(5R,7S)-7-(2-methoxyphenyl)-5-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]methanone
CID 41339951
1-[(5S,7R)-5-(4-methylphenyl)-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 7369308
1-[7-(2-methoxyphenyl)-5-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]butan-1-one
CID 6501262
1-[(5R,7R)-7-(4-methoxyphenyl)-5-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-2-methylpropan-1-one
CID 7370463

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone?
The IUPAC name of (2-methoxyphenyl)-(5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone (CID 45142675) is (2-methoxyphenyl)-(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-methoxyphenyl)-(5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone?
The canonical SMILES for (2-methoxyphenyl)-(5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone is COc1ccccc1C(=O)N1c2ncnn2C(c2ccccc2)CC1C.
What is the InChIKey of (2-methoxyphenyl)-(5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone?
The InChIKey is WTQMTYGPIBYPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-12-17(15-8-4-3-5-9-15)24-20(21-13-22-24)23(14)19(25)16-10-6-7-11-18(16)26-2/h3-11,13-14,17H,12H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-(5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone?
(2-methoxyphenyl)-(5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone has a molecular weight of 348.41 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(5-methyl-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone is sourced from PubChem (CID 45142675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).