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

C10H16N4O3 — CID 103743063

IUPAC6-[(4-methyloxan-4-yl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCC1(CNc2n[nH]c(=O)[nH]c2=O)CCOCC1
InChIInChI=1S/C10H16N4O3/c1-10(2-4-17-5-3-10)6-11-7-8(15)12-9(16)14-13-7/h2-6H2,1H3,(H,11,13)(H2,12,14,15,16)
InChIKeyBLCAGUHSKLNKEL-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.31
Rot. Bonds3

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

6-[(4-methyloxan-4-yl)methylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 103743063) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-[(4-methyloxan-4-yl)methylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(4-methyloxan-4-yl)methylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID103743063
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-[(4-methyloxan-4-yl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCC1(CNc2n[nH]c(=O)[nH]c2=O)CCOCC1
InChIInChI=1S/C10H16N4O3/c1-10(2-4-17-5-3-10)6-11-7-8(15)12-9(16)14-13-7/h2-6H2,1H3,(H,11,13)(H2,12,14,15,16)
InChIKeyBLCAGUHSKLNKEL-UHFFFAOYSA-N
XLogP-0.31
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 ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Dimethyl-6-(oxan-4-ylmethylamino)-1,2,4-triazine-3,5-dione
CID 55209691
6-(oxan-4-ylmethylamino)-2H-1,2,4-triazine-3,5-dione
CID 62352098
6-[(2-ethyl-4-hydroxybutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 80296871
6-(2,2-dimethylbutylamino)-2H-1,2,4-triazine-3,5-dione
CID 103462566
6-[(4-hydroxy-2,2-dimethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 103705310
2,4-Dimethyl-6-[(4-methyloxan-4-yl)methylamino]-1,2,4-triazine-3,5-dione
CID 103742990
2,4-Dimethyl-6-[1-(oxan-4-yl)ethylamino]-1,2,4-triazine-3,5-dione
CID 103768455
6-[[1-(2-Methoxyethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103794673
6-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2H-1,2,4-triazine-3,5-dione
CID 103794734
6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 103844412
6-[(4-methylpiperidin-4-yl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 104334462
6-[(4-methoxy-2,2-dimethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 104624110

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methyloxan-4-yl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(4-methyloxan-4-yl)methylamino]-2H-1,2,4-triazine-3,5-dione (CID 103743063) is 6-[(4-methyloxan-4-yl)methylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(4-methyloxan-4-yl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(4-methyloxan-4-yl)methylamino]-2H-1,2,4-triazine-3,5-dione is CC1(CNc2n[nH]c(=O)[nH]c2=O)CCOCC1.
What is the InChIKey of 6-[(4-methyloxan-4-yl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is BLCAGUHSKLNKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-10(2-4-17-5-3-10)6-11-7-8(15)12-9(16)14-13-7/h2-6H2,1H3,(H,11,13)(H2,12,14,15,16).
What are the key properties of 6-[(4-methyloxan-4-yl)methylamino]-2H-1,2,4-triazine-3,5-dione?
6-[(4-methyloxan-4-yl)methylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 240.26 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methyloxan-4-yl)methylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103743063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).