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

C8H12N4O3 — CID 104576830

IUPAC6-[(3-methoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCOC1CC(Nc2n[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C8H12N4O3/c1-15-5-2-4(3-5)9-6-7(13)10-8(14)12-11-6/h4-5H,2-3H2,1H3,(H,9,11)(H2,10,12,13,14)
InChIKeyKPRHZSRHHZBAGL-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.95
Rot. Bonds3

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

6-[(3-methoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 104576830) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 6-[(3-methoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(3-methoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID104576830
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name6-[(3-methoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCOC1CC(Nc2n[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C8H12N4O3/c1-15-5-2-4(3-5)9-6-7(13)10-8(14)12-11-6/h4-5H,2-3H2,1H3,(H,9,11)(H2,10,12,13,14)
InChIKeyKPRHZSRHHZBAGL-UHFFFAOYSA-N
XLogP-0.95
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(3-methoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 104576830) is 6-[(3-methoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(3-methoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(3-methoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione is COC1CC(Nc2n[nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of 6-[(3-methoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is KPRHZSRHHZBAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-15-5-2-4(3-5)9-6-7(13)10-8(14)12-11-6/h4-5H,2-3H2,1H3,(H,9,11)(H2,10,12,13,14).
What are the key properties of 6-[(3-methoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(3-methoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 212.21 g/mol, XLogP of -0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 104576830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).