2-[5-ethylsulfonyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine

C10H20N4O2S — CID 23740901

IUPAC2-[5-ethylsulfonyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCCS(=O)(=O)c1nnc(CCN)n1CC(C)C
InChIInChI=1S/C10H20N4O2S/c1-4-17(15,16)10-13-12-9(5-6-11)14(10)7-8(2)3/h8H,4-7,11H2,1-3H3
InChIKeyWQNBXVYZLFQKTB-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.23
Rot. Bonds6

About 2-[5-ethylsulfonyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine

2-[5-ethylsulfonyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 23740901) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-[5-ethylsulfonyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-ethylsulfonyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID23740901
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC Name2-[5-ethylsulfonyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCCS(=O)(=O)c1nnc(CCN)n1CC(C)C
InChIInChI=1S/C10H20N4O2S/c1-4-17(15,16)10-13-12-9(5-6-11)14(10)7-8(2)3/h8H,4-7,11H2,1-3H3
InChIKeyWQNBXVYZLFQKTB-UHFFFAOYSA-N
XLogP0.23
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-ethylsulfonyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[5-ethylsulfonyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine (CID 23740901) is 2-[5-ethylsulfonyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-ethylsulfonyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-ethylsulfonyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine is CCS(=O)(=O)c1nnc(CCN)n1CC(C)C.
What is the InChIKey of 2-[5-ethylsulfonyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is WQNBXVYZLFQKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-4-17(15,16)10-13-12-9(5-6-11)14(10)7-8(2)3/h8H,4-7,11H2,1-3H3.
What are the key properties of 2-[5-ethylsulfonyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
2-[5-ethylsulfonyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 260.36 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethylsulfonyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 23740901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).