N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methanesulfonamido)acetamide

C8H15N5O3S — CID 60580010

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methanesulfonamido)acetamide
SMILESCCn1cnnc1CNC(=O)CNS(C)(=O)=O
InChIInChI=1S/C8H15N5O3S/c1-3-13-6-10-12-7(13)4-9-8(14)5-11-17(2,15)16/h6,11H,3-5H2,1-2H3,(H,9,14)
InChIKeyOFSIJIKXWMQOOK-UHFFFAOYSA-N
MW261.31 g/mol
LogP-1.54
Rot. Bonds6

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methanesulfonamido)acetamide

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methanesulfonamido)acetamide (PubChem CID 60580010) has the molecular formula C8H15N5O3S and a molecular weight of 261.31 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methanesulfonamido)acetamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methanesulfonamido)acetamide
PubChem CID60580010
Molecular FormulaC8H15N5O3S
Molecular Weight261.31 g/mol
Exact Mass261.09
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methanesulfonamido)acetamide
SMILESCCn1cnnc1CNC(=O)CNS(C)(=O)=O
InChIInChI=1S/C8H15N5O3S/c1-3-13-6-10-12-7(13)4-9-8(14)5-11-17(2,15)16/h6,11H,3-5H2,1-2H3,(H,9,14)
InChIKeyOFSIJIKXWMQOOK-UHFFFAOYSA-N
XLogP-1.54
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methanesulfonamido)acetamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methanesulfonamido)acetamide (CID 60580010) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methanesulfonamido)acetamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methanesulfonamido)acetamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methanesulfonamido)acetamide is CCn1cnnc1CNC(=O)CNS(C)(=O)=O.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methanesulfonamido)acetamide?
The InChIKey is OFSIJIKXWMQOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O3S/c1-3-13-6-10-12-7(13)4-9-8(14)5-11-17(2,15)16/h6,11H,3-5H2,1-2H3,(H,9,14).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methanesulfonamido)acetamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methanesulfonamido)acetamide has a molecular weight of 261.31 g/mol, XLogP of -1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methanesulfonamido)acetamide is sourced from PubChem (CID 60580010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).