N,5,7-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C17H19N5OS — CID 26786460

IUPACN,5,7-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCSc1ccc(CN(C)C(=O)c2nc3nc(C)cc(C)n3n2)cc1
InChIInChI=1S/C17H19N5OS/c1-11-9-12(2)22-17(18-11)19-15(20-22)16(23)21(3)10-13-5-7-14(24-4)8-6-13/h5-9H,10H2,1-4H3
InChIKeyRQJNPSHRRHENER-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.74
Rot. Bonds4

About N,5,7-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N,5,7-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 26786460) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N,5,7-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN,5,7-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID26786460
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN,5,7-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCSc1ccc(CN(C)C(=O)c2nc3nc(C)cc(C)n3n2)cc1
InChIInChI=1S/C17H19N5OS/c1-11-9-12(2)22-17(18-11)19-15(20-22)16(23)21(3)10-13-5-7-14(24-4)8-6-13/h5-9H,10H2,1-4H3
InChIKeyRQJNPSHRRHENER-UHFFFAOYSA-N
XLogP2.74
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 30317011
N-(3-aminopropyl)-N-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 120649689
N,5,7-trimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 77085010
N,5,7-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 38076546
N-butan-2-yl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 47163756
methyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-methylamino]butanoate
CID 39491200
N-[2-(4-chloroanilino)-2-oxoethyl]-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17393839
N-benzyl-5,7-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 31484552
N,5,7-trimethyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17431167
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 609815
N-butyl-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 134015230
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18190284

Frequently Asked Questions

What is the IUPAC name of N,5,7-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N,5,7-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 26786460) is N,5,7-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N,5,7-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N,5,7-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CSc1ccc(CN(C)C(=O)c2nc3nc(C)cc(C)n3n2)cc1.
What is the InChIKey of N,5,7-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is RQJNPSHRRHENER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-11-9-12(2)22-17(18-11)19-15(20-22)16(23)21(3)10-13-5-7-14(24-4)8-6-13/h5-9H,10H2,1-4H3.
What are the key properties of N,5,7-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N,5,7-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,7-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 26786460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).