4-methoxy-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide

C20H19N5O2 — CID 2930723

IUPAC4-methoxy-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc3n(n2)C(c2ccccc2)C=C(C)N3)cc1
InChIInChI=1S/C20H19N5O2/c1-13-12-17(14-6-4-3-5-7-14)25-20(21-13)23-19(24-25)22-18(26)15-8-10-16(27-2)11-9-15/h3-12,17H,1-2H3,(H2,21,22,23,24,26)
InChIKeyDEEROTSPEVGSRY-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.46
Rot. Bonds4

About 4-methoxy-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide

4-methoxy-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (PubChem CID 2930723) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-methoxy-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
PubChem CID2930723
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name4-methoxy-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc3n(n2)C(c2ccccc2)C=C(C)N3)cc1
InChIInChI=1S/C20H19N5O2/c1-13-12-17(14-6-4-3-5-7-14)25-20(21-13)23-19(24-25)22-18(26)15-8-10-16(27-2)11-9-15/h3-12,17H,1-2H3,(H2,21,22,23,24,26)
InChIKeyDEEROTSPEVGSRY-UHFFFAOYSA-N
XLogP3.46
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The IUPAC name of 4-methoxy-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (CID 2930723) is 4-methoxy-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is COc1ccc(C(=O)Nc2nc3n(n2)C(c2ccccc2)C=C(C)N3)cc1.
What is the InChIKey of 4-methoxy-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The InChIKey is DEEROTSPEVGSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13-12-17(14-6-4-3-5-7-14)25-20(21-13)23-19(24-25)22-18(26)15-8-10-16(27-2)11-9-15/h3-12,17H,1-2H3,(H2,21,22,23,24,26).
What are the key properties of 4-methoxy-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
4-methoxy-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide has a molecular weight of 361.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is sourced from PubChem (CID 2930723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).