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

C7H10N4O3 — CID 103646748

IUPAC6-[(3R)-3-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N2CC[C@@H](O)C2)c(=O)[nH]1
InChIInChI=1S/C7H10N4O3/c12-4-1-2-11(3-4)5-6(13)8-7(14)10-9-5/h4,12H,1-3H2,(H2,8,10,13,14)/t4-/m1/s1
InChIKeyCAIHIMCBBMQKHS-SCSAIBSYSA-N
MW198.18 g/mol
LogP-1.97
Rot. Bonds1

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

6-[(3R)-3-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione (PubChem CID 103646748) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 6-[(3R)-3-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(3R)-3-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
PubChem CID103646748
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name6-[(3R)-3-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N2CC[C@@H](O)C2)c(=O)[nH]1
InChIInChI=1S/C7H10N4O3/c12-4-1-2-11(3-4)5-6(13)8-7(14)10-9-5/h4,12H,1-3H2,(H2,8,10,13,14)/t4-/m1/s1
InChIKeyCAIHIMCBBMQKHS-SCSAIBSYSA-N
XLogP-1.97
TPSA102.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(3R)-3-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione (CID 103646748) is 6-[(3R)-3-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(3R)-3-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(3R)-3-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(N2CC[C@@H](O)C2)c(=O)[nH]1.
What is the InChIKey of 6-[(3R)-3-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is CAIHIMCBBMQKHS-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H10N4O3/c12-4-1-2-11(3-4)5-6(13)8-7(14)10-9-5/h4,12H,1-3H2,(H2,8,10,13,14)/t4-/m1/s1.
What are the key properties of 6-[(3R)-3-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
6-[(3R)-3-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 198.18 g/mol, XLogP of -1.97, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103646748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).