6-methyl-5-(4-methylanilino)-1,2,4-triazinan-3-one

C11H16N4O — CID 78293234

IUPAC6-methyl-5-(4-methylanilino)-1,2,4-triazinan-3-one
SMILESCc1ccc(NC2NC(=O)NNC2C)cc1
InChIInChI=1S/C11H16N4O/c1-7-3-5-9(6-4-7)12-10-8(2)14-15-11(16)13-10/h3-6,8,10,12,14H,1-2H3,(H2,13,15,16)
InChIKeyCRKBIWNXKHABRW-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.94
Rot. Bonds2

About 6-methyl-5-(4-methylanilino)-1,2,4-triazinan-3-one

6-methyl-5-(4-methylanilino)-1,2,4-triazinan-3-one (PubChem CID 78293234) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 6-methyl-5-(4-methylanilino)-1,2,4-triazinan-3-one.

Molecular Properties

Compound Name6-methyl-5-(4-methylanilino)-1,2,4-triazinan-3-one
PubChem CID78293234
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name6-methyl-5-(4-methylanilino)-1,2,4-triazinan-3-one
SMILESCc1ccc(NC2NC(=O)NNC2C)cc1
InChIInChI=1S/C11H16N4O/c1-7-3-5-9(6-4-7)12-10-8(2)14-15-11(16)13-10/h3-6,8,10,12,14H,1-2H3,(H2,13,15,16)
InChIKeyCRKBIWNXKHABRW-UHFFFAOYSA-N
XLogP0.94
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(4-methylanilino)-1,2,4-triazinan-3-one?
The IUPAC name of 6-methyl-5-(4-methylanilino)-1,2,4-triazinan-3-one (CID 78293234) is 6-methyl-5-(4-methylanilino)-1,2,4-triazinan-3-one.
What is the SMILES notation for 6-methyl-5-(4-methylanilino)-1,2,4-triazinan-3-one?
The canonical SMILES for 6-methyl-5-(4-methylanilino)-1,2,4-triazinan-3-one is Cc1ccc(NC2NC(=O)NNC2C)cc1.
What is the InChIKey of 6-methyl-5-(4-methylanilino)-1,2,4-triazinan-3-one?
The InChIKey is CRKBIWNXKHABRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-7-3-5-9(6-4-7)12-10-8(2)14-15-11(16)13-10/h3-6,8,10,12,14H,1-2H3,(H2,13,15,16).
What are the key properties of 6-methyl-5-(4-methylanilino)-1,2,4-triazinan-3-one?
6-methyl-5-(4-methylanilino)-1,2,4-triazinan-3-one has a molecular weight of 220.28 g/mol, XLogP of 0.94, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(4-methylanilino)-1,2,4-triazinan-3-one is sourced from PubChem (CID 78293234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).