ethane;N-methylacetamide;1,2,4-triazine

C8H16N4O — CID 91526773

IUPACethane;N-methylacetamide;1,2,4-triazine
SMILESCC.CNC(C)=O.c1cnncn1
InChIInChI=1S/C3H3N3.C3H7NO.C2H6/c1-2-5-6-3-4-1;1-3(5)4-2;1-2/h1-3H;1-2H3,(H,4,5);1-2H3
InChIKeyIRQDERULTKKMRO-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.65
Rot. Bonds

About ethane;N-methylacetamide;1,2,4-triazine

ethane;N-methylacetamide;1,2,4-triazine (PubChem CID 91526773) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is ethane;N-methylacetamide;1,2,4-triazine.

Molecular Properties

Compound Nameethane;N-methylacetamide;1,2,4-triazine
PubChem CID91526773
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Nameethane;N-methylacetamide;1,2,4-triazine
SMILESCC.CNC(C)=O.c1cnncn1
InChIInChI=1S/C3H3N3.C3H7NO.C2H6/c1-2-5-6-3-4-1;1-3(5)4-2;1-2/h1-3H;1-2H3,(H,4,5);1-2H3
InChIKeyIRQDERULTKKMRO-UHFFFAOYSA-N
XLogP0.65
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methylacetamide;1,2,4-triazine?
The IUPAC name of ethane;N-methylacetamide;1,2,4-triazine (CID 91526773) is ethane;N-methylacetamide;1,2,4-triazine.
What is the SMILES notation for ethane;N-methylacetamide;1,2,4-triazine?
The canonical SMILES for ethane;N-methylacetamide;1,2,4-triazine is CC.CNC(C)=O.c1cnncn1.
What is the InChIKey of ethane;N-methylacetamide;1,2,4-triazine?
The InChIKey is IRQDERULTKKMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.C3H7NO.C2H6/c1-2-5-6-3-4-1;1-3(5)4-2;1-2/h1-3H;1-2H3,(H,4,5);1-2H3.
What are the key properties of ethane;N-methylacetamide;1,2,4-triazine?
ethane;N-methylacetamide;1,2,4-triazine has a molecular weight of 184.24 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylacetamide;1,2,4-triazine is sourced from PubChem (CID 91526773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).