6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione

C10H16N4O3 — CID 62468308

IUPAC6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N2CCCC2CCCO)c(=O)[nH]1
InChIInChI=1S/C10H16N4O3/c15-6-2-4-7-3-1-5-14(7)8-9(16)11-10(17)13-12-8/h7,15H,1-6H2,(H2,11,13,16,17)
InChIKeyMCJTZCRFJGSGHP-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.80
Rot. Bonds4

About 6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione

6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione (PubChem CID 62468308) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
PubChem CID62468308
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N2CCCC2CCCO)c(=O)[nH]1
InChIInChI=1S/C10H16N4O3/c15-6-2-4-7-3-1-5-14(7)8-9(16)11-10(17)13-12-8/h7,15H,1-6H2,(H2,11,13,16,17)
InChIKeyMCJTZCRFJGSGHP-UHFFFAOYSA-N
XLogP-0.80
TPSA102.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione (CID 62468308) is 6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(N2CCCC2CCCO)c(=O)[nH]1.
What is the InChIKey of 6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is MCJTZCRFJGSGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c15-6-2-4-7-3-1-5-14(7)8-9(16)11-10(17)13-12-8/h7,15H,1-6H2,(H2,11,13,16,17).
What are the key properties of 6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 240.26 g/mol, XLogP of -0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 62468308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).