1-(1-cyclopropylpropyl)-5-(4-methoxy-2,5-dimethylanilino)-3-methyl-1,2,4-triazin-6-one

C19H26N4O2 — CID 46891155

IUPAC1-(1-cyclopropylpropyl)-5-(4-methoxy-2,5-dimethylanilino)-3-methyl-1,2,4-triazin-6-one
SMILESCCC(C1CC1)n1nc(C)nc(Nc2cc(C)c(OC)cc2C)c1=O
InChIInChI=1S/C19H26N4O2/c1-6-16(14-7-8-14)23-19(24)18(20-13(4)22-23)21-15-9-12(3)17(25-5)10-11(15)2/h9-10,14,16H,6-8H2,1-5H3,(H,20,21,22)
InChIKeyVCBLHTNHIMVNRV-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.68
Rot. Bonds6

About 1-(1-cyclopropylpropyl)-5-(4-methoxy-2,5-dimethylanilino)-3-methyl-1,2,4-triazin-6-one

1-(1-cyclopropylpropyl)-5-(4-methoxy-2,5-dimethylanilino)-3-methyl-1,2,4-triazin-6-one (PubChem CID 46891155) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(1-cyclopropylpropyl)-5-(4-methoxy-2,5-dimethylanilino)-3-methyl-1,2,4-triazin-6-one.

Molecular Properties

Compound Name1-(1-cyclopropylpropyl)-5-(4-methoxy-2,5-dimethylanilino)-3-methyl-1,2,4-triazin-6-one
PubChem CID46891155
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-(1-cyclopropylpropyl)-5-(4-methoxy-2,5-dimethylanilino)-3-methyl-1,2,4-triazin-6-one
SMILESCCC(C1CC1)n1nc(C)nc(Nc2cc(C)c(OC)cc2C)c1=O
InChIInChI=1S/C19H26N4O2/c1-6-16(14-7-8-14)23-19(24)18(20-13(4)22-23)21-15-9-12(3)17(25-5)10-11(15)2/h9-10,14,16H,6-8H2,1-5H3,(H,20,21,22)
InChIKeyVCBLHTNHIMVNRV-UHFFFAOYSA-N
XLogP3.68
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpropyl)-5-(4-methoxy-2,5-dimethylanilino)-3-methyl-1,2,4-triazin-6-one?
The IUPAC name of 1-(1-cyclopropylpropyl)-5-(4-methoxy-2,5-dimethylanilino)-3-methyl-1,2,4-triazin-6-one (CID 46891155) is 1-(1-cyclopropylpropyl)-5-(4-methoxy-2,5-dimethylanilino)-3-methyl-1,2,4-triazin-6-one.
What is the SMILES notation for 1-(1-cyclopropylpropyl)-5-(4-methoxy-2,5-dimethylanilino)-3-methyl-1,2,4-triazin-6-one?
The canonical SMILES for 1-(1-cyclopropylpropyl)-5-(4-methoxy-2,5-dimethylanilino)-3-methyl-1,2,4-triazin-6-one is CCC(C1CC1)n1nc(C)nc(Nc2cc(C)c(OC)cc2C)c1=O.
What is the InChIKey of 1-(1-cyclopropylpropyl)-5-(4-methoxy-2,5-dimethylanilino)-3-methyl-1,2,4-triazin-6-one?
The InChIKey is VCBLHTNHIMVNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-6-16(14-7-8-14)23-19(24)18(20-13(4)22-23)21-15-9-12(3)17(25-5)10-11(15)2/h9-10,14,16H,6-8H2,1-5H3,(H,20,21,22).
What are the key properties of 1-(1-cyclopropylpropyl)-5-(4-methoxy-2,5-dimethylanilino)-3-methyl-1,2,4-triazin-6-one?
1-(1-cyclopropylpropyl)-5-(4-methoxy-2,5-dimethylanilino)-3-methyl-1,2,4-triazin-6-one has a molecular weight of 342.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpropyl)-5-(4-methoxy-2,5-dimethylanilino)-3-methyl-1,2,4-triazin-6-one is sourced from PubChem (CID 46891155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).