2,4-dimethyl-6-[(5-methylpyrazin-2-yl)methylamino]-1,2,4-triazine-3,5-dione

C11H14N6O2 — CID 62846661

IUPAC2,4-dimethyl-6-[(5-methylpyrazin-2-yl)methylamino]-1,2,4-triazine-3,5-dione
SMILESCc1cnc(CNc2nn(C)c(=O)n(C)c2=O)cn1
InChIInChI=1S/C11H14N6O2/c1-7-4-13-8(5-12-7)6-14-9-10(18)16(2)11(19)17(3)15-9/h4-5H,6H2,1-3H3,(H,14,15)
InChIKeyJRDJIKRMEODMJS-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.81
Rot. Bonds3

About 2,4-dimethyl-6-[(5-methylpyrazin-2-yl)methylamino]-1,2,4-triazine-3,5-dione

2,4-dimethyl-6-[(5-methylpyrazin-2-yl)methylamino]-1,2,4-triazine-3,5-dione (PubChem CID 62846661) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2,4-dimethyl-6-[(5-methylpyrazin-2-yl)methylamino]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-[(5-methylpyrazin-2-yl)methylamino]-1,2,4-triazine-3,5-dione
PubChem CID62846661
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name2,4-dimethyl-6-[(5-methylpyrazin-2-yl)methylamino]-1,2,4-triazine-3,5-dione
SMILESCc1cnc(CNc2nn(C)c(=O)n(C)c2=O)cn1
InChIInChI=1S/C11H14N6O2/c1-7-4-13-8(5-12-7)6-14-9-10(18)16(2)11(19)17(3)15-9/h4-5H,6H2,1-3H3,(H,14,15)
InChIKeyJRDJIKRMEODMJS-UHFFFAOYSA-N
XLogP-0.81
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[(5-methylpyrazin-2-yl)methylamino]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-[(5-methylpyrazin-2-yl)methylamino]-1,2,4-triazine-3,5-dione (CID 62846661) is 2,4-dimethyl-6-[(5-methylpyrazin-2-yl)methylamino]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-[(5-methylpyrazin-2-yl)methylamino]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-[(5-methylpyrazin-2-yl)methylamino]-1,2,4-triazine-3,5-dione is Cc1cnc(CNc2nn(C)c(=O)n(C)c2=O)cn1.
What is the InChIKey of 2,4-dimethyl-6-[(5-methylpyrazin-2-yl)methylamino]-1,2,4-triazine-3,5-dione?
The InChIKey is JRDJIKRMEODMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-7-4-13-8(5-12-7)6-14-9-10(18)16(2)11(19)17(3)15-9/h4-5H,6H2,1-3H3,(H,14,15).
What are the key properties of 2,4-dimethyl-6-[(5-methylpyrazin-2-yl)methylamino]-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-[(5-methylpyrazin-2-yl)methylamino]-1,2,4-triazine-3,5-dione has a molecular weight of 262.27 g/mol, XLogP of -0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[(5-methylpyrazin-2-yl)methylamino]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 62846661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).