6-(hexan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione

C11H20N4O2 — CID 62200621

IUPAC6-(hexan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCCCC(C)Nc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H20N4O2/c1-5-6-7-8(2)12-9-10(16)14(3)11(17)15(4)13-9/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyKNCWECSBLXEUCK-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.47
Rot. Bonds5

About 6-(hexan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-(hexan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 62200621) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-(hexan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(hexan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID62200621
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name6-(hexan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCCCC(C)Nc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H20N4O2/c1-5-6-7-8(2)12-9-10(16)14(3)11(17)15(4)13-9/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyKNCWECSBLXEUCK-UHFFFAOYSA-N
XLogP0.47
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(hexan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(hexan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 62200621) is 6-(hexan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(hexan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(hexan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is CCCCC(C)Nc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-(hexan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is KNCWECSBLXEUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-5-6-7-8(2)12-9-10(16)14(3)11(17)15(4)13-9/h8H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 6-(hexan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-(hexan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 240.31 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hexan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 62200621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).