3-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]ethyl]-1,1-dimethylurea

C10H18N6O3 — CID 83112398

IUPAC3-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H18N6O3/c1-14(2)9(18)12-6-5-11-7-8(17)15(3)10(19)16(4)13-7/h5-6H2,1-4H3,(H,11,13)(H,12,18)
InChIKeyKKJADULOQDOOIP-UHFFFAOYSA-N
MW270.29 g/mol
LogP-1.84
Rot. Bonds4

About 3-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]ethyl]-1,1-dimethylurea

3-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]ethyl]-1,1-dimethylurea (PubChem CID 83112398) has the molecular formula C10H18N6O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]ethyl]-1,1-dimethylurea
PubChem CID83112398
Molecular FormulaC10H18N6O3
Molecular Weight270.29 g/mol
Exact Mass270.14
IUPAC Name3-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H18N6O3/c1-14(2)9(18)12-6-5-11-7-8(17)15(3)10(19)16(4)13-7/h5-6H2,1-4H3,(H,11,13)(H,12,18)
InChIKeyKKJADULOQDOOIP-UHFFFAOYSA-N
XLogP-1.84
TPSA101.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-1.84
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 3-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]ethyl]-1,1-dimethylurea (CID 83112398) is 3-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCNc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 3-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]ethyl]-1,1-dimethylurea?
The InChIKey is KKJADULOQDOOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O3/c1-14(2)9(18)12-6-5-11-7-8(17)15(3)10(19)16(4)13-7/h5-6H2,1-4H3,(H,11,13)(H,12,18).
What are the key properties of 3-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]ethyl]-1,1-dimethylurea?
3-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]ethyl]-1,1-dimethylurea has a molecular weight of 270.29 g/mol, XLogP of -1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83112398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).