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

C8H12N4O3 — CID 115620965

IUPAC6-[(1-hydroxycyclobutyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCC2(O)CCC2)c(=O)[nH]1
InChIInChI=1S/C8H12N4O3/c13-6-5(11-12-7(14)10-6)9-4-8(15)2-1-3-8/h15H,1-4H2,(H,9,11)(H2,10,12,13,14)
InChIKeyXOOWWVDSGJOVLT-UHFFFAOYSA-N
MW212.21 g/mol
LogP-1.21
Rot. Bonds3

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

6-[(1-hydroxycyclobutyl)methylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 115620965) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 6-[(1-hydroxycyclobutyl)methylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(1-hydroxycyclobutyl)methylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID115620965
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name6-[(1-hydroxycyclobutyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCC2(O)CCC2)c(=O)[nH]1
InChIInChI=1S/C8H12N4O3/c13-6-5(11-12-7(14)10-6)9-4-8(15)2-1-3-8/h15H,1-4H2,(H,9,11)(H2,10,12,13,14)
InChIKeyXOOWWVDSGJOVLT-UHFFFAOYSA-N
XLogP-1.21
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-hydroxycyclobutyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(1-hydroxycyclobutyl)methylamino]-2H-1,2,4-triazine-3,5-dione (CID 115620965) is 6-[(1-hydroxycyclobutyl)methylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(1-hydroxycyclobutyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(1-hydroxycyclobutyl)methylamino]-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NCC2(O)CCC2)c(=O)[nH]1.
What is the InChIKey of 6-[(1-hydroxycyclobutyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is XOOWWVDSGJOVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c13-6-5(11-12-7(14)10-6)9-4-8(15)2-1-3-8/h15H,1-4H2,(H,9,11)(H2,10,12,13,14).
What are the key properties of 6-[(1-hydroxycyclobutyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
6-[(1-hydroxycyclobutyl)methylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 212.21 g/mol, XLogP of -1.21, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-hydroxycyclobutyl)methylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 115620965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).