2-methyl-6,7,8,9-tetrahydropyrazino[2,1-c][1,2,4]triazine-3,4-dione

C7H10N4O2 — CID 146050065

IUPAC2-methyl-6,7,8,9-tetrahydropyrazino[2,1-c][1,2,4]triazine-3,4-dione
SMILESCn1nc2n(c(=O)c1=O)CCNC2
InChIInChI=1S/C7H10N4O2/c1-10-6(12)7(13)11-3-2-8-4-5(11)9-10/h8H,2-4H2,1H3
InChIKeyQKYMIFUJWBTJET-UHFFFAOYSA-N
MW182.18 g/mol
LogP-1.95
Rot. Bonds

About 2-methyl-6,7,8,9-tetrahydropyrazino[2,1-c][1,2,4]triazine-3,4-dione

2-methyl-6,7,8,9-tetrahydropyrazino[2,1-c][1,2,4]triazine-3,4-dione (PubChem CID 146050065) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-methyl-6,7,8,9-tetrahydropyrazino[2,1-c][1,2,4]triazine-3,4-dione.

Molecular Properties

Compound Name2-methyl-6,7,8,9-tetrahydropyrazino[2,1-c][1,2,4]triazine-3,4-dione
PubChem CID146050065
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name2-methyl-6,7,8,9-tetrahydropyrazino[2,1-c][1,2,4]triazine-3,4-dione
SMILESCn1nc2n(c(=O)c1=O)CCNC2
InChIInChI=1S/C7H10N4O2/c1-10-6(12)7(13)11-3-2-8-4-5(11)9-10/h8H,2-4H2,1H3
InChIKeyQKYMIFUJWBTJET-UHFFFAOYSA-N
XLogP-1.95
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-1.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,7,8,9-tetrahydropyrazino[2,1-c][1,2,4]triazine-3,4-dione?
The IUPAC name of 2-methyl-6,7,8,9-tetrahydropyrazino[2,1-c][1,2,4]triazine-3,4-dione (CID 146050065) is 2-methyl-6,7,8,9-tetrahydropyrazino[2,1-c][1,2,4]triazine-3,4-dione.
What is the SMILES notation for 2-methyl-6,7,8,9-tetrahydropyrazino[2,1-c][1,2,4]triazine-3,4-dione?
The canonical SMILES for 2-methyl-6,7,8,9-tetrahydropyrazino[2,1-c][1,2,4]triazine-3,4-dione is Cn1nc2n(c(=O)c1=O)CCNC2.
What is the InChIKey of 2-methyl-6,7,8,9-tetrahydropyrazino[2,1-c][1,2,4]triazine-3,4-dione?
The InChIKey is QKYMIFUJWBTJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-10-6(12)7(13)11-3-2-8-4-5(11)9-10/h8H,2-4H2,1H3.
What are the key properties of 2-methyl-6,7,8,9-tetrahydropyrazino[2,1-c][1,2,4]triazine-3,4-dione?
2-methyl-6,7,8,9-tetrahydropyrazino[2,1-c][1,2,4]triazine-3,4-dione has a molecular weight of 182.18 g/mol, XLogP of -1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,7,8,9-tetrahydropyrazino[2,1-c][1,2,4]triazine-3,4-dione is sourced from PubChem (CID 146050065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).