6-[4-(aminomethyl)phenoxy]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C12H14N4O3 — CID 106485601

IUPAC6-[4-(aminomethyl)phenoxy]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(Oc2ccc(CN)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C12H14N4O3/c1-15-11(17)10(14-16(2)12(15)18)19-9-5-3-8(7-13)4-6-9/h3-6H,7,13H2,1-2H3
InChIKeyYVNUVMQJLFFDER-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.27
Rot. Bonds3

About 6-[4-(aminomethyl)phenoxy]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[4-(aminomethyl)phenoxy]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 106485601) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 6-[4-(aminomethyl)phenoxy]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[4-(aminomethyl)phenoxy]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID106485601
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name6-[4-(aminomethyl)phenoxy]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(Oc2ccc(CN)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C12H14N4O3/c1-15-11(17)10(14-16(2)12(15)18)19-9-5-3-8(7-13)4-6-9/h3-6H,7,13H2,1-2H3
InChIKeyYVNUVMQJLFFDER-UHFFFAOYSA-N
XLogP-0.27
TPSA92.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)phenoxy]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[4-(aminomethyl)phenoxy]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 106485601) is 6-[4-(aminomethyl)phenoxy]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[4-(aminomethyl)phenoxy]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[4-(aminomethyl)phenoxy]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(Oc2ccc(CN)cc2)c(=O)n(C)c1=O.
What is the InChIKey of 6-[4-(aminomethyl)phenoxy]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is YVNUVMQJLFFDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-15-11(17)10(14-16(2)12(15)18)19-9-5-3-8(7-13)4-6-9/h3-6H,7,13H2,1-2H3.
What are the key properties of 6-[4-(aminomethyl)phenoxy]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[4-(aminomethyl)phenoxy]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 262.27 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)phenoxy]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 106485601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).