5-(ethylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-sulfonamide

C12H18N6O2S — CID 106016201

IUPAC5-(ethylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCc2nncn2C)nc1
InChIInChI=1S/C12H18N6O2S/c1-3-13-6-10-4-5-12(14-7-10)21(19,20)16-8-11-17-15-9-18(11)2/h4-5,7,9,13,16H,3,6,8H2,1-2H3
InChIKeyWRPDRLGUDRYPPO-UHFFFAOYSA-N
MW310.38 g/mol
LogP-0.20
Rot. Bonds7

About 5-(ethylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-sulfonamide

5-(ethylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-sulfonamide (PubChem CID 106016201) has the molecular formula C12H18N6O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-sulfonamide
PubChem CID106016201
Molecular FormulaC12H18N6O2S
Molecular Weight310.38 g/mol
Exact Mass310.12
IUPAC Name5-(ethylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCc2nncn2C)nc1
InChIInChI=1S/C12H18N6O2S/c1-3-13-6-10-4-5-12(14-7-10)21(19,20)16-8-11-17-15-9-18(11)2/h4-5,7,9,13,16H,3,6,8H2,1-2H3
InChIKeyWRPDRLGUDRYPPO-UHFFFAOYSA-N
XLogP-0.20
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(ethylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106016288
5-(ethylaminomethyl)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-sulfonamide
CID 106051487
6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide
CID 35387073
5-(ethylaminomethyl)-N-(3-methylsulfanylpropyl)pyridine-2-sulfonamide
CID 106066192
5-(ethylaminomethyl)-N-(3-propoxypropyl)pyridine-2-sulfonamide
CID 106074139
5-(ethylaminomethyl)-N-(5-methoxypentyl)pyridine-2-sulfonamide
CID 106092686
5-[2-(ethylamino)ethyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106016215
5-(ethylaminomethyl)-N-pyrimidin-5-ylpyridine-2-sulfonamide
CID 106088578
5-(aminomethyl)-2-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 106016248
4-(ethylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106064146
2-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 61047274
5-amino-3-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazole-4-sulfonamide
CID 63980428

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-sulfonamide (CID 106016201) is 5-(ethylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-sulfonamide is CCNCc1ccc(S(=O)(=O)NCc2nncn2C)nc1.
What is the InChIKey of 5-(ethylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-sulfonamide?
The InChIKey is WRPDRLGUDRYPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2S/c1-3-13-6-10-4-5-12(14-7-10)21(19,20)16-8-11-17-15-9-18(11)2/h4-5,7,9,13,16H,3,6,8H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-sulfonamide?
5-(ethylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of -0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 106016201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).