ethane;3-(methylamino)-4H-1,2,4-triazin-5-one

C6H12N4O — CID 142108141

IUPACethane;3-(methylamino)-4H-1,2,4-triazin-5-one
SMILESCC.CNc1nncc(=O)[nH]1
InChIInChI=1S/C4H6N4O.C2H6/c1-5-4-7-3(9)2-6-8-4;1-2/h2H,1H3,(H2,5,7,8,9);1-2H3
InChIKeyMCASMTLCPJKDGM-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.23
Rot. Bonds1

About ethane;3-(methylamino)-4H-1,2,4-triazin-5-one

ethane;3-(methylamino)-4H-1,2,4-triazin-5-one (PubChem CID 142108141) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is ethane;3-(methylamino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Nameethane;3-(methylamino)-4H-1,2,4-triazin-5-one
PubChem CID142108141
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Nameethane;3-(methylamino)-4H-1,2,4-triazin-5-one
SMILESCC.CNc1nncc(=O)[nH]1
InChIInChI=1S/C4H6N4O.C2H6/c1-5-4-7-3(9)2-6-8-4;1-2/h2H,1H3,(H2,5,7,8,9);1-2H3
InChIKeyMCASMTLCPJKDGM-UHFFFAOYSA-N
XLogP0.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(methylamino)-4H-1,2,4-triazin-5-one?
The IUPAC name of ethane;3-(methylamino)-4H-1,2,4-triazin-5-one (CID 142108141) is ethane;3-(methylamino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for ethane;3-(methylamino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for ethane;3-(methylamino)-4H-1,2,4-triazin-5-one is CC.CNc1nncc(=O)[nH]1.
What is the InChIKey of ethane;3-(methylamino)-4H-1,2,4-triazin-5-one?
The InChIKey is MCASMTLCPJKDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O.C2H6/c1-5-4-7-3(9)2-6-8-4;1-2/h2H,1H3,(H2,5,7,8,9);1-2H3.
What are the key properties of ethane;3-(methylamino)-4H-1,2,4-triazin-5-one?
ethane;3-(methylamino)-4H-1,2,4-triazin-5-one has a molecular weight of 156.19 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(methylamino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 142108141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).