6-(3-hydroxypyrrolidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione

C9H14N4O3 — CID 62918326

IUPAC6-(3-hydroxypyrrolidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2CCC(O)C2)c(=O)n(C)c1=O
InChIInChI=1S/C9H14N4O3/c1-11-8(15)7(10-12(2)9(11)16)13-4-3-6(14)5-13/h6,14H,3-5H2,1-2H3
InChIKeyVNKJNALJULRPMD-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.95
Rot. Bonds1

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

6-(3-hydroxypyrrolidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 62918326) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-(3-hydroxypyrrolidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(3-hydroxypyrrolidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID62918326
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name6-(3-hydroxypyrrolidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2CCC(O)C2)c(=O)n(C)c1=O
InChIInChI=1S/C9H14N4O3/c1-11-8(15)7(10-12(2)9(11)16)13-4-3-6(14)5-13/h6,14H,3-5H2,1-2H3
InChIKeyVNKJNALJULRPMD-UHFFFAOYSA-N
XLogP-1.95
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypyrrolidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(3-hydroxypyrrolidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 62918326) is 6-(3-hydroxypyrrolidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(3-hydroxypyrrolidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(3-hydroxypyrrolidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(N2CCC(O)C2)c(=O)n(C)c1=O.
What is the InChIKey of 6-(3-hydroxypyrrolidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is VNKJNALJULRPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-11-8(15)7(10-12(2)9(11)16)13-4-3-6(14)5-13/h6,14H,3-5H2,1-2H3.
What are the key properties of 6-(3-hydroxypyrrolidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-(3-hydroxypyrrolidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 226.24 g/mol, XLogP of -1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypyrrolidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 62918326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).