6-[(3-hydroxycyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C10H16N4O3 — CID 66006770

IUPAC6-[(3-hydroxycyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC2CC(O)C2)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O3/c1-13-9(16)8(12-14(2)10(13)17)11-5-6-3-7(15)4-6/h6-7,15H,3-5H2,1-2H3,(H,11,12)
InChIKeyUTLBNWPBEYSJGD-UHFFFAOYSA-N
MW240.26 g/mol
LogP-1.34
Rot. Bonds3

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

6-[(3-hydroxycyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 66006770) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-[(3-hydroxycyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(3-hydroxycyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID66006770
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-[(3-hydroxycyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC2CC(O)C2)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O3/c1-13-9(16)8(12-14(2)10(13)17)11-5-6-3-7(15)4-6/h6-7,15H,3-5H2,1-2H3,(H,11,12)
InChIKeyUTLBNWPBEYSJGD-UHFFFAOYSA-N
XLogP-1.34
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxycyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(3-hydroxycyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 66006770) is 6-[(3-hydroxycyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(3-hydroxycyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(3-hydroxycyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NCC2CC(O)C2)c(=O)n(C)c1=O.
What is the InChIKey of 6-[(3-hydroxycyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is UTLBNWPBEYSJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-13-9(16)8(12-14(2)10(13)17)11-5-6-3-7(15)4-6/h6-7,15H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 6-[(3-hydroxycyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(3-hydroxycyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 240.26 g/mol, XLogP of -1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxycyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 66006770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).