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

C10H17N5O3 — CID 66052603

IUPAC6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
SMILESCN(C)CC1CC(O)CN1c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H17N5O3/c1-14(2)4-6-3-7(16)5-15(6)8-9(17)11-10(18)13-12-8/h6-7,16H,3-5H2,1-2H3,(H2,11,13,17,18)
InChIKeyJNKNUPFFEZLZOD-UHFFFAOYSA-N
MW255.28 g/mol
LogP-2.04
Rot. Bonds3

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

6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione (PubChem CID 66052603) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
PubChem CID66052603
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
SMILESCN(C)CC1CC(O)CN1c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H17N5O3/c1-14(2)4-6-3-7(16)5-15(6)8-9(17)11-10(18)13-12-8/h6-7,16H,3-5H2,1-2H3,(H2,11,13,17,18)
InChIKeyJNKNUPFFEZLZOD-UHFFFAOYSA-N
XLogP-2.04
TPSA105.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-2.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione (CID 66052603) is 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione is CN(C)CC1CC(O)CN1c1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is JNKNUPFFEZLZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-14(2)4-6-3-7(16)5-15(6)8-9(17)11-10(18)13-12-8/h6-7,16H,3-5H2,1-2H3,(H2,11,13,17,18).
What are the key properties of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 255.28 g/mol, XLogP of -2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 66052603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).