2,4-dimethyl-6-[2-(propan-2-ylamino)ethylamino]-1,2,4-triazine-3,5-dione

C10H19N5O2 — CID 62664840

IUPAC2,4-dimethyl-6-[2-(propan-2-ylamino)ethylamino]-1,2,4-triazine-3,5-dione
SMILESCC(C)NCCNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H19N5O2/c1-7(2)11-5-6-12-8-9(16)14(3)10(17)15(4)13-8/h7,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyFANNKXQXLWAMSG-UHFFFAOYSA-N
MW241.29 g/mol
LogP-1.11
Rot. Bonds5

About 2,4-dimethyl-6-[2-(propan-2-ylamino)ethylamino]-1,2,4-triazine-3,5-dione

2,4-dimethyl-6-[2-(propan-2-ylamino)ethylamino]-1,2,4-triazine-3,5-dione (PubChem CID 62664840) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2,4-dimethyl-6-[2-(propan-2-ylamino)ethylamino]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-[2-(propan-2-ylamino)ethylamino]-1,2,4-triazine-3,5-dione
PubChem CID62664840
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name2,4-dimethyl-6-[2-(propan-2-ylamino)ethylamino]-1,2,4-triazine-3,5-dione
SMILESCC(C)NCCNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H19N5O2/c1-7(2)11-5-6-12-8-9(16)14(3)10(17)15(4)13-8/h7,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyFANNKXQXLWAMSG-UHFFFAOYSA-N
XLogP-1.11
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[2-(propan-2-ylamino)ethylamino]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-[2-(propan-2-ylamino)ethylamino]-1,2,4-triazine-3,5-dione (CID 62664840) is 2,4-dimethyl-6-[2-(propan-2-ylamino)ethylamino]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-[2-(propan-2-ylamino)ethylamino]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-[2-(propan-2-ylamino)ethylamino]-1,2,4-triazine-3,5-dione is CC(C)NCCNc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-[2-(propan-2-ylamino)ethylamino]-1,2,4-triazine-3,5-dione?
The InChIKey is FANNKXQXLWAMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-7(2)11-5-6-12-8-9(16)14(3)10(17)15(4)13-8/h7,11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 2,4-dimethyl-6-[2-(propan-2-ylamino)ethylamino]-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-[2-(propan-2-ylamino)ethylamino]-1,2,4-triazine-3,5-dione has a molecular weight of 241.29 g/mol, XLogP of -1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[2-(propan-2-ylamino)ethylamino]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 62664840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).