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

C23H26N6OS — CID 135660206

IUPACN-(2,3-dimethylphenyl)-5-methyl-2-propylsulfanyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCSc1nc2n(n1)C(c1ccccn1)C(C(=O)Nc1cccc(C)c1C)=C(C)N2
InChIInChI=1S/C23H26N6OS/c1-5-13-31-23-27-22-25-16(4)19(20(29(22)28-23)18-10-6-7-12-24-18)21(30)26-17-11-8-9-14(2)15(17)3/h6-12,20H,5,13H2,1-4H3,(H,26,30)(H,25,27,28)
InChIKeyAEAVHVHHMLBIED-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.72
Rot. Bonds6

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

N-(2,3-dimethylphenyl)-5-methyl-2-propylsulfanyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135660206) has the molecular formula C23H26N6OS and a molecular weight of 434.57 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-5-methyl-2-propylsulfanyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-5-methyl-2-propylsulfanyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135660206
Molecular FormulaC23H26N6OS
Molecular Weight434.57 g/mol
Exact Mass434.19
IUPAC NameN-(2,3-dimethylphenyl)-5-methyl-2-propylsulfanyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCSc1nc2n(n1)C(c1ccccn1)C(C(=O)Nc1cccc(C)c1C)=C(C)N2
InChIInChI=1S/C23H26N6OS/c1-5-13-31-23-27-22-25-16(4)19(20(29(22)28-23)18-10-6-7-12-24-18)21(30)26-17-11-8-9-14(2)15(17)3/h6-12,20H,5,13H2,1-4H3,(H,26,30)(H,25,27,28)
InChIKeyAEAVHVHHMLBIED-UHFFFAOYSA-N
XLogP4.72
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dimethylphenyl)-7-(4-hydroxyphenyl)-5-methyl-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135659993
methyl 4-[6-[(2,3-dimethylphenyl)carbamoyl]-5-methyl-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoate
CID 135662854
N-(2,3-dimethylphenyl)-5-methyl-7-(3-propan-2-yloxyphenyl)-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135662564
7-(3-bromo-4-hydroxyphenyl)-N-(2,3-dimethylphenyl)-5-methyl-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135660279
N-(2,3-dimethylphenyl)-7-(3-ethoxy-4-hydroxyphenyl)-5-methyl-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135661799
2-butylsulfanyl-N-(2,3-dimethylphenyl)-7-(4-hydroxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135659992
(7R)-2-[(2-fluorophenyl)methylsulfanyl]-5-methyl-N-(2-methylphenyl)-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136883118
7-(4-tert-butylphenyl)-2-butylsulfanyl-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135660796
2-butylsulfanyl-N-(2,3-dimethylphenyl)-5-methyl-7-(4-propan-2-ylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135660191
N-(2,3-dimethylphenyl)-7-(4-methoxy-3-nitrophenyl)-5-methyl-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135662824
N-(2,3-dimethylphenyl)-7-[3-methoxy-4-(3-methylbutoxy)phenyl]-5-methyl-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135660900
N-(2,3-dimethylphenyl)-7-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-5-methyl-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135662114

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-5-methyl-2-propylsulfanyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-5-methyl-2-propylsulfanyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135660206) is N-(2,3-dimethylphenyl)-5-methyl-2-propylsulfanyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-5-methyl-2-propylsulfanyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-5-methyl-2-propylsulfanyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCCSc1nc2n(n1)C(c1ccccn1)C(C(=O)Nc1cccc(C)c1C)=C(C)N2.
What is the InChIKey of N-(2,3-dimethylphenyl)-5-methyl-2-propylsulfanyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is AEAVHVHHMLBIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6OS/c1-5-13-31-23-27-22-25-16(4)19(20(29(22)28-23)18-10-6-7-12-24-18)21(30)26-17-11-8-9-14(2)15(17)3/h6-12,20H,5,13H2,1-4H3,(H,26,30)(H,25,27,28).
What are the key properties of N-(2,3-dimethylphenyl)-5-methyl-2-propylsulfanyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
N-(2,3-dimethylphenyl)-5-methyl-2-propylsulfanyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-5-methyl-2-propylsulfanyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135660206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).