6-[(3-ethoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione

C9H14N4O3 — CID 102609170

IUPAC6-[(3-ethoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCCOC1CC(Nc2n[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C9H14N4O3/c1-2-16-6-3-5(4-6)10-7-8(14)11-9(15)13-12-7/h5-6H,2-4H2,1H3,(H,10,12)(H2,11,13,14,15)
InChIKeyJBRHDHYSKAMOGX-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.56
Rot. Bonds4

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

6-[(3-ethoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 102609170) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-[(3-ethoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(3-ethoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID102609170
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name6-[(3-ethoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCCOC1CC(Nc2n[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C9H14N4O3/c1-2-16-6-3-5(4-6)10-7-8(14)11-9(15)13-12-7/h5-6H,2-4H2,1H3,(H,10,12)(H2,11,13,14,15)
InChIKeyJBRHDHYSKAMOGX-UHFFFAOYSA-N
XLogP-0.56
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(3-ethoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 102609170) is 6-[(3-ethoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(3-ethoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(3-ethoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione is CCOC1CC(Nc2n[nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of 6-[(3-ethoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is JBRHDHYSKAMOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-2-16-6-3-5(4-6)10-7-8(14)11-9(15)13-12-7/h5-6H,2-4H2,1H3,(H,10,12)(H2,11,13,14,15).
What are the key properties of 6-[(3-ethoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(3-ethoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 226.24 g/mol, XLogP of -0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 102609170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).