N-benzyl-2-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine

C15H15N5O2S — CID 2979862

IUPACN-benzyl-2-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine
SMILESCS(=O)(=O)n1nc(-c2cccnc2)nc1NCc1ccccc1
InChIInChI=1S/C15H15N5O2S/c1-23(21,22)20-15(17-10-12-6-3-2-4-7-12)18-14(19-20)13-8-5-9-16-11-13/h2-9,11H,10H2,1H3,(H,17,18,19)
InChIKeyOGDGTCYTHZXULA-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.76
Rot. Bonds5

About N-benzyl-2-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine

N-benzyl-2-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine (PubChem CID 2979862) has the molecular formula C15H15N5O2S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-benzyl-2-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-benzyl-2-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine
PubChem CID2979862
Molecular FormulaC15H15N5O2S
Molecular Weight329.38 g/mol
Exact Mass329.09
IUPAC NameN-benzyl-2-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine
SMILESCS(=O)(=O)n1nc(-c2cccnc2)nc1NCc1ccccc1
InChIInChI=1S/C15H15N5O2S/c1-23(21,22)20-15(17-10-12-6-3-2-4-7-12)18-14(19-20)13-8-5-9-16-11-13/h2-9,11H,10H2,1H3,(H,17,18,19)
InChIKeyOGDGTCYTHZXULA-UHFFFAOYSA-N
XLogP1.76
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-[(4-Fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one
CID 3922884
1-[5-[(4-Fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one
CID 3934876
3-(Cinnamylthio)-5-(3-pyridinyl)-4H-1,2,4-triazol-4-amine
CID 2034924
4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]pyridine
CID 664949
1-(5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)-3-methylbutan-1-one
CID 3476108
1-[5-(Benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one
CID 4686951
5-Methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine
CID 22226668
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propylpyridine-3-sulfonamide
CID 44621440
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N,N-diethylpyridine-3-sulfonamide
CID 44621442
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-methylpyridine-3-sulfonamide
CID 44621447
3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine
CID 613699
1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
CID 969953

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine?
The IUPAC name of N-benzyl-2-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine (CID 2979862) is N-benzyl-2-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-benzyl-2-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine?
The canonical SMILES for N-benzyl-2-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine is CS(=O)(=O)n1nc(-c2cccnc2)nc1NCc1ccccc1.
What is the InChIKey of N-benzyl-2-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine?
The InChIKey is OGDGTCYTHZXULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-23(21,22)20-15(17-10-12-6-3-2-4-7-12)18-14(19-20)13-8-5-9-16-11-13/h2-9,11H,10H2,1H3,(H,17,18,19).
What are the key properties of N-benzyl-2-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine?
N-benzyl-2-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine has a molecular weight of 329.38 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 2979862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).