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

C19H19N5OS — CID 135410511

IUPAC5-methyl-N-(2-methylphenyl)-7-(3-methylthiophen-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(c2sccc2C)n2ncnc2N1
InChIInChI=1S/C19H19N5OS/c1-11-6-4-5-7-14(11)23-18(25)15-13(3)22-19-20-10-21-24(19)16(15)17-12(2)8-9-26-17/h4-10,16H,1-3H3,(H,23,25)(H,20,21,22)
InChIKeyWHJVWQJOTVZNIF-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.88
Rot. Bonds3

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

5-methyl-N-(2-methylphenyl)-7-(3-methylthiophen-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135410511) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 5-methyl-N-(2-methylphenyl)-7-(3-methylthiophen-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methylphenyl)-7-(3-methylthiophen-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135410511
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name5-methyl-N-(2-methylphenyl)-7-(3-methylthiophen-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(c2sccc2C)n2ncnc2N1
InChIInChI=1S/C19H19N5OS/c1-11-6-4-5-7-14(11)23-18(25)15-13(3)22-19-20-10-21-24(19)16(15)17-12(2)8-9-26-17/h4-10,16H,1-3H3,(H,23,25)(H,20,21,22)
InChIKeyWHJVWQJOTVZNIF-UHFFFAOYSA-N
XLogP3.88
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylphenyl)-7-(3-methylthiophen-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-(2-methylphenyl)-7-(3-methylthiophen-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135410511) is 5-methyl-N-(2-methylphenyl)-7-(3-methylthiophen-2-yl)-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-(3-methylthiophen-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methylphenyl)-7-(3-methylthiophen-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2C)C(c2sccc2C)n2ncnc2N1.
What is the InChIKey of 5-methyl-N-(2-methylphenyl)-7-(3-methylthiophen-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is WHJVWQJOTVZNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-11-6-4-5-7-14(11)23-18(25)15-13(3)22-19-20-10-21-24(19)16(15)17-12(2)8-9-26-17/h4-10,16H,1-3H3,(H,23,25)(H,20,21,22).
What are the key properties of 5-methyl-N-(2-methylphenyl)-7-(3-methylthiophen-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
5-methyl-N-(2-methylphenyl)-7-(3-methylthiophen-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.88, 3 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-(3-methylthiophen-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135410511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).