6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione

C11H18N4O2 — CID 79362150

IUPAC6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCC1(C)C(CNc2n[nH]c(=O)[nH]c2=O)C1(C)C
InChIInChI=1S/C11H18N4O2/c1-10(2)6(11(10,3)4)5-12-7-8(16)13-9(17)15-14-7/h6H,5H2,1-4H3,(H,12,14)(H2,13,15,16,17)
InChIKeyOGDCGUHPSFFQGK-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.55
Rot. Bonds3

About 6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione

6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 79362150) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID79362150
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCC1(C)C(CNc2n[nH]c(=O)[nH]c2=O)C1(C)C
InChIInChI=1S/C11H18N4O2/c1-10(2)6(11(10,3)4)5-12-7-8(16)13-9(17)15-14-7/h6H,5H2,1-4H3,(H,12,14)(H2,13,15,16,17)
InChIKeyOGDCGUHPSFFQGK-UHFFFAOYSA-N
XLogP0.55
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione (CID 79362150) is 6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione is CC1(C)C(CNc2n[nH]c(=O)[nH]c2=O)C1(C)C.
What is the InChIKey of 6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is OGDCGUHPSFFQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-10(2)6(11(10,3)4)5-12-7-8(16)13-9(17)15-14-7/h6H,5H2,1-4H3,(H,12,14)(H2,13,15,16,17).
What are the key properties of 6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 238.29 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 79362150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).