2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide

C10H20N6O3S — CID 61140200

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide
SMILESCCN(CCCNC(=O)Cn1cnc(N)n1)S(C)(=O)=O
InChIInChI=1S/C10H20N6O3S/c1-3-16(20(2,18)19)6-4-5-12-9(17)7-15-8-13-10(11)14-15/h8H,3-7H2,1-2H3,(H2,11,14)(H,12,17)
InChIKeyLXOMJVJKOSKYOJ-UHFFFAOYSA-N
MW304.38 g/mol
LogP-1.35
Rot. Bonds8

About 2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide (PubChem CID 61140200) has the molecular formula C10H20N6O3S and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide
PubChem CID61140200
Molecular FormulaC10H20N6O3S
Molecular Weight304.38 g/mol
Exact Mass304.13
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide
SMILESCCN(CCCNC(=O)Cn1cnc(N)n1)S(C)(=O)=O
InChIInChI=1S/C10H20N6O3S/c1-3-16(20(2,18)19)6-4-5-12-9(17)7-15-8-13-10(11)14-15/h8H,3-7H2,1-2H3,(H2,11,14)(H,12,17)
InChIKeyLXOMJVJKOSKYOJ-UHFFFAOYSA-N
XLogP-1.35
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide
CID 47839833
N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 43600686
N-[3-(methylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 43600692
N-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 43601589
N-[3-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 43601595
N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 47036551
N-butyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide
CID 47826201
N-(1-methylsulfonylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 47937369
N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 51081103
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 54901713
2-(3-amino-1,2,4-triazol-1-yl)-N-[3-(diethylamino)propyl]acetamide
CID 54901751
2-(3-amino-1,2,4-triazol-1-yl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide
CID 54901802

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide (CID 61140200) is 2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide is CCN(CCCNC(=O)Cn1cnc(N)n1)S(C)(=O)=O.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide?
The InChIKey is LXOMJVJKOSKYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O3S/c1-3-16(20(2,18)19)6-4-5-12-9(17)7-15-8-13-10(11)14-15/h8H,3-7H2,1-2H3,(H2,11,14)(H,12,17).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide has a molecular weight of 304.38 g/mol, XLogP of -1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide is sourced from PubChem (CID 61140200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).