6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C12H21N5O3 — CID 66051442

IUPAC6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCN(C)CC1CC(O)CN1c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H21N5O3/c1-14(2)6-8-5-9(18)7-17(8)10-11(19)15(3)12(20)16(4)13-10/h8-9,18H,5-7H2,1-4H3
InChIKeyOJEFPEZHDDOYQH-UHFFFAOYSA-N
MW283.33 g/mol
LogP-2.02
Rot. Bonds3

About 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 66051442) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID66051442
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCN(C)CC1CC(O)CN1c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H21N5O3/c1-14(2)6-8-5-9(18)7-17(8)10-11(19)15(3)12(20)16(4)13-10/h8-9,18H,5-7H2,1-4H3
InChIKeyOJEFPEZHDDOYQH-UHFFFAOYSA-N
XLogP-2.02
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-2.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 66051442) is 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CN(C)CC1CC(O)CN1c1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is OJEFPEZHDDOYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-14(2)6-8-5-9(18)7-17(8)10-11(19)15(3)12(20)16(4)13-10/h8-9,18H,5-7H2,1-4H3.
What are the key properties of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 283.33 g/mol, XLogP of -2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 66051442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).