4-ethyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one

C6H12N4O — CID 82841789

IUPAC4-ethyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one
SMILESCCn1c(NC)nn(C)c1=O
InChIInChI=1S/C6H12N4O/c1-4-10-5(7-2)8-9(3)6(10)11/h4H2,1-3H3,(H,7,8)
InChIKeyNCXMPSWOZYPTQW-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.36
Rot. Bonds2

About 4-ethyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one

4-ethyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one (PubChem CID 82841789) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one
PubChem CID82841789
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name4-ethyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one
SMILESCCn1c(NC)nn(C)c1=O
InChIInChI=1S/C6H12N4O/c1-4-10-5(7-2)8-9(3)6(10)11/h4H2,1-3H3,(H,7,8)
InChIKeyNCXMPSWOZYPTQW-UHFFFAOYSA-N
XLogP-0.36
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one (CID 82841789) is 4-ethyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one is CCn1c(NC)nn(C)c1=O.
What is the InChIKey of 4-ethyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one?
The InChIKey is NCXMPSWOZYPTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-4-10-5(7-2)8-9(3)6(10)11/h4H2,1-3H3,(H,7,8).
What are the key properties of 4-ethyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one?
4-ethyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one has a molecular weight of 156.19 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one is sourced from PubChem (CID 82841789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).