6-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C22H23N5O — CID 22433811

IUPAC6-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1c(C)nc2nc(-c3ccccc3)nn2c1Nc1cc(C)ccc1OC
InChIInChI=1S/C22H23N5O/c1-5-17-15(3)23-22-25-20(16-9-7-6-8-10-16)26-27(22)21(17)24-18-13-14(2)11-12-19(18)28-4/h6-13,24H,5H2,1-4H3
InChIKeyVICORCPHSRZQHO-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.72
Rot. Bonds5

About 6-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 22433811) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID22433811
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name6-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1c(C)nc2nc(-c3ccccc3)nn2c1Nc1cc(C)ccc1OC
InChIInChI=1S/C22H23N5O/c1-5-17-15(3)23-22-25-20(16-9-7-6-8-10-16)26-27(22)21(17)24-18-13-14(2)11-12-19(18)28-4/h6-13,24H,5H2,1-4H3
InChIKeyVICORCPHSRZQHO-UHFFFAOYSA-N
XLogP4.72
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 22433811) is 6-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1c(C)nc2nc(-c3ccccc3)nn2c1Nc1cc(C)ccc1OC.
What is the InChIKey of 6-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VICORCPHSRZQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-5-17-15(3)23-22-25-20(16-9-7-6-8-10-16)26-27(22)21(17)24-18-13-14(2)11-12-19(18)28-4/h6-13,24H,5H2,1-4H3.
What are the key properties of 6-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 373.46 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 22433811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).