5-methyl-N-(2-methylphenyl)-7-(2-prop-2-enoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

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

5-methyl-N-(2-methylphenyl)-7-(2-prop-2-enoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 2979899) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 5-methyl-N-(2-methylphenyl)-7-(2-prop-2-enoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name	5-methyl-N-(2-methylphenyl)-7-(2-prop-2-enoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID	2979899
Molecular Formula	C23H23N5O2
Molecular Weight	401.47 g/mol
Exact Mass	401.19
IUPAC Name	5-methyl-N-(2-methylphenyl)-7-(2-prop-2-enoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILES	C=CCOc1ccccc1C1C(C(=O)Nc2ccccc2C)=C(C)Nc2ncnn21
InChI	InChI=1S/C23H23N5O2/c1-4-13-30-19-12-8-6-10-17(19)21-20(16(3)26-23-24-14-25-28(21)23)22(29)27-18-11-7-5-9-15(18)2/h4-12,14,21H,1,13H2,2-3H3,(H,27,29)(H,24,25,26)
InChIKey	HSAKCCCIDBNIFQ-UHFFFAOYSA-N
XLogP	4.08
TPSA	81.07 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylphenyl)-7-(2-prop-2-enoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of 5-methyl-N-(2-methylphenyl)-7-(2-prop-2-enoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 2979899) is 5-methyl-N-(2-methylphenyl)-7-(2-prop-2-enoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 5-methyl-N-(2-methylphenyl)-7-(2-prop-2-enoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for 5-methyl-N-(2-methylphenyl)-7-(2-prop-2-enoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is C=CCOc1ccccc1C1C(C(=O)Nc2ccccc2C)=C(C)Nc2ncnn21.

What is the InChIKey of 5-methyl-N-(2-methylphenyl)-7-(2-prop-2-enoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is HSAKCCCIDBNIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-4-13-30-19-12-8-6-10-17(19)21-20(16(3)26-23-24-14-25-28(21)23)22(29)27-18-11-7-5-9-15(18)2/h4-12,14,21H,1,13H2,2-3H3,(H,27,29)(H,24,25,26).

What are the key properties of 5-methyl-N-(2-methylphenyl)-7-(2-prop-2-enoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

5-methyl-N-(2-methylphenyl)-7-(2-prop-2-enoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-(2-methylphenyl)-7-(2-prop-2-enoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 2979899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).