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

C10H17N5O2 — CID 66005848

IUPAC6-[(3-aminocyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC2CC(N)C2)c(=O)n(C)c1=O
InChIInChI=1S/C10H17N5O2/c1-14-9(16)8(13-15(2)10(14)17)12-5-6-3-7(11)4-6/h6-7H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyZOQKBWYXZMEOTN-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.37
Rot. Bonds3

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

6-[(3-aminocyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 66005848) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-[(3-aminocyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(3-aminocyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID66005848
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name6-[(3-aminocyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC2CC(N)C2)c(=O)n(C)c1=O
InChIInChI=1S/C10H17N5O2/c1-14-9(16)8(13-15(2)10(14)17)12-5-6-3-7(11)4-6/h6-7H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyZOQKBWYXZMEOTN-UHFFFAOYSA-N
XLogP-1.37
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-aminocyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(3-aminocyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 66005848) is 6-[(3-aminocyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(3-aminocyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(3-aminocyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NCC2CC(N)C2)c(=O)n(C)c1=O.
What is the InChIKey of 6-[(3-aminocyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is ZOQKBWYXZMEOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-14-9(16)8(13-15(2)10(14)17)12-5-6-3-7(11)4-6/h6-7H,3-5,11H2,1-2H3,(H,12,13).
What are the key properties of 6-[(3-aminocyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(3-aminocyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 239.28 g/mol, XLogP of -1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-aminocyclobutyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 66005848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).