ethane;2-[[3-(4-ethyltriazol-1-yl)-2-methylpropyl]amino]acetamide

C12H25N5O — CID 144584771

IUPACethane;2-[[3-(4-ethyltriazol-1-yl)-2-methylpropyl]amino]acetamide
SMILESCC.CCc1cn(CC(C)CNCC(N)=O)nn1
InChIInChI=1S/C10H19N5O.C2H6/c1-3-9-7-15(14-13-9)6-8(2)4-12-5-10(11)16;1-2/h7-8,12H,3-6H2,1-2H3,(H2,11,16);1-2H3
InChIKeyNDUWDKXQEQMWGS-UHFFFAOYSA-N
MW255.37 g/mol
LogP0.58
Rot. Bonds7

About ethane;2-[[3-(4-ethyltriazol-1-yl)-2-methylpropyl]amino]acetamide

ethane;2-[[3-(4-ethyltriazol-1-yl)-2-methylpropyl]amino]acetamide (PubChem CID 144584771) has the molecular formula C12H25N5O and a molecular weight of 255.37 g/mol. Its IUPAC name is ethane;2-[[3-(4-ethyltriazol-1-yl)-2-methylpropyl]amino]acetamide.

Molecular Properties

Compound Nameethane;2-[[3-(4-ethyltriazol-1-yl)-2-methylpropyl]amino]acetamide
PubChem CID144584771
Molecular FormulaC12H25N5O
Molecular Weight255.37 g/mol
Exact Mass255.21
IUPAC Nameethane;2-[[3-(4-ethyltriazol-1-yl)-2-methylpropyl]amino]acetamide
SMILESCC.CCc1cn(CC(C)CNCC(N)=O)nn1
InChIInChI=1S/C10H19N5O.C2H6/c1-3-9-7-15(14-13-9)6-8(2)4-12-5-10(11)16;1-2/h7-8,12H,3-6H2,1-2H3,(H2,11,16);1-2H3
InChIKeyNDUWDKXQEQMWGS-UHFFFAOYSA-N
XLogP0.58
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[[3-(4-ethyltriazol-1-yl)-2-methylpropyl]amino]acetamide?
The IUPAC name of ethane;2-[[3-(4-ethyltriazol-1-yl)-2-methylpropyl]amino]acetamide (CID 144584771) is ethane;2-[[3-(4-ethyltriazol-1-yl)-2-methylpropyl]amino]acetamide.
What is the SMILES notation for ethane;2-[[3-(4-ethyltriazol-1-yl)-2-methylpropyl]amino]acetamide?
The canonical SMILES for ethane;2-[[3-(4-ethyltriazol-1-yl)-2-methylpropyl]amino]acetamide is CC.CCc1cn(CC(C)CNCC(N)=O)nn1.
What is the InChIKey of ethane;2-[[3-(4-ethyltriazol-1-yl)-2-methylpropyl]amino]acetamide?
The InChIKey is NDUWDKXQEQMWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O.C2H6/c1-3-9-7-15(14-13-9)6-8(2)4-12-5-10(11)16;1-2/h7-8,12H,3-6H2,1-2H3,(H2,11,16);1-2H3.
What are the key properties of ethane;2-[[3-(4-ethyltriazol-1-yl)-2-methylpropyl]amino]acetamide?
ethane;2-[[3-(4-ethyltriazol-1-yl)-2-methylpropyl]amino]acetamide has a molecular weight of 255.37 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[3-(4-ethyltriazol-1-yl)-2-methylpropyl]amino]acetamide is sourced from PubChem (CID 144584771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).