(6E)-1-methyl-6-propylidene-4H-1,2,4-triazin-5-one

C7H11N3O — CID 143861096

IUPAC(6E)-1-methyl-6-propylidene-4H-1,2,4-triazin-5-one
SMILESCC/C=C1\C(=O)NC=NN1C
InChIInChI=1S/C7H11N3O/c1-3-4-6-7(11)8-5-9-10(6)2/h4-5H,3H2,1-2H3,(H,8,9,11)/b6-4+
InChIKeyOUKOXSOWMRVWPG-GQCTYLIASA-N
MW153.19 g/mol
LogP0.29
Rot. Bonds1

About (6E)-1-methyl-6-propylidene-4H-1,2,4-triazin-5-one

(6E)-1-methyl-6-propylidene-4H-1,2,4-triazin-5-one (PubChem CID 143861096) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is (6E)-1-methyl-6-propylidene-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name(6E)-1-methyl-6-propylidene-4H-1,2,4-triazin-5-one
PubChem CID143861096
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name(6E)-1-methyl-6-propylidene-4H-1,2,4-triazin-5-one
SMILESCC/C=C1\C(=O)NC=NN1C
InChIInChI=1S/C7H11N3O/c1-3-4-6-7(11)8-5-9-10(6)2/h4-5H,3H2,1-2H3,(H,8,9,11)/b6-4+
InChIKeyOUKOXSOWMRVWPG-GQCTYLIASA-N
XLogP0.29
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E)-1-methyl-6-propylidene-4H-1,2,4-triazin-5-one?
The IUPAC name of (6E)-1-methyl-6-propylidene-4H-1,2,4-triazin-5-one (CID 143861096) is (6E)-1-methyl-6-propylidene-4H-1,2,4-triazin-5-one.
What is the SMILES notation for (6E)-1-methyl-6-propylidene-4H-1,2,4-triazin-5-one?
The canonical SMILES for (6E)-1-methyl-6-propylidene-4H-1,2,4-triazin-5-one is CC/C=C1\C(=O)NC=NN1C.
What is the InChIKey of (6E)-1-methyl-6-propylidene-4H-1,2,4-triazin-5-one?
The InChIKey is OUKOXSOWMRVWPG-GQCTYLIASA-N. The full InChI is InChI=1S/C7H11N3O/c1-3-4-6-7(11)8-5-9-10(6)2/h4-5H,3H2,1-2H3,(H,8,9,11)/b6-4+.
What are the key properties of (6E)-1-methyl-6-propylidene-4H-1,2,4-triazin-5-one?
(6E)-1-methyl-6-propylidene-4H-1,2,4-triazin-5-one has a molecular weight of 153.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-1-methyl-6-propylidene-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 143861096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).