N-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide

C17H17N5O2S — CID 126567203

IUPACN-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide
SMILESCc1ccccc1-c1cnnc(N(Cc2ccccn2)S(C)(=O)=O)n1
InChIInChI=1S/C17H17N5O2S/c1-13-7-3-4-9-15(13)16-11-19-21-17(20-16)22(25(2,23)24)12-14-8-5-6-10-18-14/h3-11H,12H2,1-2H3
InChIKeyOEASEVHSWZTEAP-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.21
Rot. Bonds5

About N-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide

N-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide (PubChem CID 126567203) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide
PubChem CID126567203
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide
SMILESCc1ccccc1-c1cnnc(N(Cc2ccccn2)S(C)(=O)=O)n1
InChIInChI=1S/C17H17N5O2S/c1-13-7-3-4-9-15(13)16-11-19-21-17(20-16)22(25(2,23)24)12-14-8-5-6-10-18-14/h3-11H,12H2,1-2H3
InChIKeyOEASEVHSWZTEAP-UHFFFAOYSA-N
XLogP2.21
TPSA88.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide?
The IUPAC name of N-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide (CID 126567203) is N-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide?
The canonical SMILES for N-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide is Cc1ccccc1-c1cnnc(N(Cc2ccccn2)S(C)(=O)=O)n1.
What is the InChIKey of N-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide?
The InChIKey is OEASEVHSWZTEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-13-7-3-4-9-15(13)16-11-19-21-17(20-16)22(25(2,23)24)12-14-8-5-6-10-18-14/h3-11H,12H2,1-2H3.
What are the key properties of N-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide?
N-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide has a molecular weight of 355.42 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylphenyl)-1,2,4-triazin-3-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 126567203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).