6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C12H22N4O3 — CID 103896020

IUPAC6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC(C)(C)CCCO)c(=O)n(C)c1=O
InChIInChI=1S/C12H22N4O3/c1-12(2,6-5-7-17)8-13-9-10(18)15(3)11(19)16(4)14-9/h17H,5-8H2,1-4H3,(H,13,14)
InChIKeyPOXXTODBNGKBSX-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.31
Rot. Bonds6

About 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 103896020) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID103896020
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC(C)(C)CCCO)c(=O)n(C)c1=O
InChIInChI=1S/C12H22N4O3/c1-12(2,6-5-7-17)8-13-9-10(18)15(3)11(19)16(4)14-9/h17H,5-8H2,1-4H3,(H,13,14)
InChIKeyPOXXTODBNGKBSX-UHFFFAOYSA-N
XLogP-0.31
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione with MolForge

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Related Compounds

4-Heptyl-6-(4-hydroxybutylamino)-2-methyl-1,2,4-triazine-3,5-dione
CID 68809959
6-[3-(Hydroxymethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60658769
6-[(1-Hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 61246006
6-[(4-Hydroxy-2-methylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 66109246
6-[[1-(Hydroxymethyl)cyclopropyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 79479739
6-(5-Hydroxypentan-2-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 80294224
6-[(2-Ethyl-4-hydroxybutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 80296099
6-[(3-Hydroxy-2,2-dimethylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 81635128
6-[(3-Hydroxycyclopentyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103269865
6-[(1-Hydroxy-4-methylpentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103703931
6-[2-(2-Hydroxyethyl)pentylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103705093
6-[(4-Hydroxy-2,2-dimethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103705241

Frequently Asked Questions

What is the IUPAC name of 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 103896020) is 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NCC(C)(C)CCCO)c(=O)n(C)c1=O.
What is the InChIKey of 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is POXXTODBNGKBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-12(2,6-5-7-17)8-13-9-10(18)15(3)11(19)16(4)14-9/h17H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 270.33 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103896020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).