5-methyl-2-(3-methylphenyl)-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C20H19N5O — CID 135515056

IUPAC5-methyl-2-(3-methylphenyl)-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(N)=O)C(c2ccccc2)n2nc(-c3cccc(C)c3)nc2N1
InChIInChI=1S/C20H19N5O/c1-12-7-6-10-15(11-12)19-23-20-22-13(2)16(18(21)26)17(25(20)24-19)14-8-4-3-5-9-14/h3-11,17H,1-2H3,(H2,21,26)(H,22,23,24)
InChIKeyQUTVLMZAXJBCLY-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.03
Rot. Bonds3

About 5-methyl-2-(3-methylphenyl)-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

5-methyl-2-(3-methylphenyl)-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135515056) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 5-methyl-2-(3-methylphenyl)-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-2-(3-methylphenyl)-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135515056
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name5-methyl-2-(3-methylphenyl)-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(N)=O)C(c2ccccc2)n2nc(-c3cccc(C)c3)nc2N1
InChIInChI=1S/C20H19N5O/c1-12-7-6-10-15(11-12)19-23-20-22-13(2)16(18(21)26)17(25(20)24-19)14-8-4-3-5-9-14/h3-11,17H,1-2H3,(H2,21,26)(H,22,23,24)
InChIKeyQUTVLMZAXJBCLY-UHFFFAOYSA-N
XLogP3.03
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-hydroxy-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide
CID 135519712
7-(2-Fluorophenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 3457659
7-(4-Fluorophenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4444714
6-methyl-9-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CID 3159877
5-Methyl-7-(thiophen-2-yl)-2-(m-tolyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 3235982
9-(4-fluorophenyl)-6,6-dimethyl-2-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CID 3355027
9-(4-methylphenyl)-6-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CID 4859237
2-[4-(Dimethylamino)phenyl]-7-(4-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 135419144
2-(4-chlorophenyl)-5-methyl-7-(3-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135437073
7-phenyl-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 502188
2-pentyl-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 502191
2-cyclohexyl-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 502194

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylphenyl)-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-2-(3-methylphenyl)-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135515056) is 5-methyl-2-(3-methylphenyl)-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-2-(3-methylphenyl)-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-2-(3-methylphenyl)-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(N)=O)C(c2ccccc2)n2nc(-c3cccc(C)c3)nc2N1.
What is the InChIKey of 5-methyl-2-(3-methylphenyl)-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is QUTVLMZAXJBCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-12-7-6-10-15(11-12)19-23-20-22-13(2)16(18(21)26)17(25(20)24-19)14-8-4-3-5-9-14/h3-11,17H,1-2H3,(H2,21,26)(H,22,23,24).
What are the key properties of 5-methyl-2-(3-methylphenyl)-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
5-methyl-2-(3-methylphenyl)-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylphenyl)-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135515056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).