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

C10H16N4O3 — CID 103742813

IUPAC6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCOC1CC(Nc2n[nH]c(=O)[nH]c2=O)C1(C)C
InChIInChI=1S/C10H16N4O3/c1-10(2)5(4-6(10)17-3)11-7-8(15)12-9(16)14-13-7/h5-6H,4H2,1-3H3,(H,11,13)(H2,12,14,15,16)
InChIKeyJNGKEQYYBNKZAT-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.32
Rot. Bonds3

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

6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 103742813) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID103742813
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCOC1CC(Nc2n[nH]c(=O)[nH]c2=O)C1(C)C
InChIInChI=1S/C10H16N4O3/c1-10(2)5(4-6(10)17-3)11-7-8(15)12-9(16)14-13-7/h5-6H,4H2,1-3H3,(H,11,13)(H2,12,14,15,16)
InChIKeyJNGKEQYYBNKZAT-UHFFFAOYSA-N
XLogP-0.32
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione with MolForge

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Related Compounds

N-(3-ethoxy-2,2-diethylcyclobutyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136226380
6-[(3-ethoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 102609170
6-[(3-methoxycyclopentyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 103082063
6-[(1-methylcyclobutyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 103736926
6-[(3-Methoxy-2,2-dimethylcyclobutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103742740
6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 103746149
6-[(3-methoxycyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 104576830
6-[(5-amino-2,2-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 106142889
6-[(1-amino-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 106357816
6-[(2,2-dimethyloxan-4-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 113336607
6-[(3-Hydroxy-2,2-dimethylcyclobutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 113610216
6-[(2-amino-4,4-dimethylpentyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 113924895

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 103742813) is 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione is COC1CC(Nc2n[nH]c(=O)[nH]c2=O)C1(C)C.
What is the InChIKey of 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is JNGKEQYYBNKZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-10(2)5(4-6(10)17-3)11-7-8(15)12-9(16)14-13-7/h5-6H,4H2,1-3H3,(H,11,13)(H2,12,14,15,16).
What are the key properties of 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 240.26 g/mol, XLogP of -0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103742813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).