1-(3-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methanesulfonamide

C14H14N6O2S — CID 121135495

IUPAC1-(3-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2cc(-n3cncn3)ncn2)c1
InChIInChI=1S/C14H14N6O2S/c1-11-3-2-4-12(5-11)7-23(21,22)19-13-6-14(17-9-16-13)20-10-15-8-18-20/h2-6,8-10H,7H2,1H3,(H,16,17,19)
InChIKeyGMOPEVDCTBDQCN-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.31
Rot. Bonds5

About 1-(3-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methanesulfonamide

1-(3-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methanesulfonamide (PubChem CID 121135495) has the molecular formula C14H14N6O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methanesulfonamide
PubChem CID121135495
Molecular FormulaC14H14N6O2S
Molecular Weight330.37 g/mol
Exact Mass330.09
IUPAC Name1-(3-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2cc(-n3cncn3)ncn2)c1
InChIInChI=1S/C14H14N6O2S/c1-11-3-2-4-12(5-11)7-23(21,22)19-13-6-14(17-9-16-13)20-10-15-8-18-20/h2-6,8-10H,7H2,1H3,(H,16,17,19)
InChIKeyGMOPEVDCTBDQCN-UHFFFAOYSA-N
XLogP1.31
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-ethylphenoxy)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]ethanesulfonamide
CID 121135488
1-(3-methylphenyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 122328463
4-propyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135484
2,4-dichloro-5-methyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135483
N-[2-(3-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51102624
N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 121135441
2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]acetamide
CID 71805433
5-bromo-2-methoxy-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135452
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(3-methylphenyl)methanesulfonamide
CID 122314023
1-(3-methylphenyl)-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 122290006
N-(2,5-dimethoxy-4-methylphenyl)-1-(3-methylphenyl)methanesulfonamide
CID 110777825
4-(dimethylsulfamoylamino)-6-pyrazol-1-ylpyrimidine
CID 121134990

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methanesulfonamide?
The IUPAC name of 1-(3-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methanesulfonamide (CID 121135495) is 1-(3-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methanesulfonamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methanesulfonamide?
The canonical SMILES for 1-(3-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methanesulfonamide is Cc1cccc(CS(=O)(=O)Nc2cc(-n3cncn3)ncn2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methanesulfonamide?
The InChIKey is GMOPEVDCTBDQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S/c1-11-3-2-4-12(5-11)7-23(21,22)19-13-6-14(17-9-16-13)20-10-15-8-18-20/h2-6,8-10H,7H2,1H3,(H,16,17,19).
What are the key properties of 1-(3-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methanesulfonamide?
1-(3-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methanesulfonamide has a molecular weight of 330.37 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methanesulfonamide is sourced from PubChem (CID 121135495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).