6-[3-(2-hydroxyethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C12H20N4O3 — CID 62358302

IUPAC6-[3-(2-hydroxyethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2CCCC(CCO)C2)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O3/c1-14-11(18)10(13-15(2)12(14)19)16-6-3-4-9(8-16)5-7-17/h9,17H,3-8H2,1-2H3
InChIKeyHQBXTVQEHXESKS-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.92
Rot. Bonds3

About 6-[3-(2-hydroxyethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[3-(2-hydroxyethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 62358302) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-[3-(2-hydroxyethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[3-(2-hydroxyethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID62358302
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name6-[3-(2-hydroxyethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2CCCC(CCO)C2)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O3/c1-14-11(18)10(13-15(2)12(14)19)16-6-3-4-9(8-16)5-7-17/h9,17H,3-8H2,1-2H3
InChIKeyHQBXTVQEHXESKS-UHFFFAOYSA-N
XLogP-0.92
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[3-(2-hydroxyethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione with MolForge

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Related Compounds

6-[2-(Hydroxymethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60658547
6-[3-(Hydroxymethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60658769
6-(3-Hydroxypiperidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60658800
6-[4-(Hydroxymethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60964628
3-[1-(2,4-Dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-4-yl]propanoic acid
CID 62217322
6-[3-(2-hydroxyethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 62358303
2-[1-(2,4-Dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid
CID 62690085
6-[[2-(Hydroxymethyl)cyclohexyl]methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 65903387
6-[(3-Hydroxycyclobutyl)methyl-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 65994993
6-[(2-Ethyl-4-hydroxybutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 80296099
6-[(3-Hydroxycyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103703470
6-[2-(2-Hydroxyethyl)pentylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103705093

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-hydroxyethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[3-(2-hydroxyethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 62358302) is 6-[3-(2-hydroxyethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[3-(2-hydroxyethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[3-(2-hydroxyethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(N2CCCC(CCO)C2)c(=O)n(C)c1=O.
What is the InChIKey of 6-[3-(2-hydroxyethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is HQBXTVQEHXESKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-14-11(18)10(13-15(2)12(14)19)16-6-3-4-9(8-16)5-7-17/h9,17H,3-8H2,1-2H3.
What are the key properties of 6-[3-(2-hydroxyethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[3-(2-hydroxyethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 268.32 g/mol, XLogP of -0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-hydroxyethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 62358302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).