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

C8H13N5O2 — CID 115300803

IUPAC6-[3-(methylamino)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
SMILESCNC1CCN(c2n[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C8H13N5O2/c1-9-5-2-3-13(4-5)6-7(14)10-8(15)12-11-6/h5,9H,2-4H2,1H3,(H2,10,12,14,15)
InChIKeyPNRFVQYCDSBBPO-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.74
Rot. Bonds2

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

6-[3-(methylamino)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione (PubChem CID 115300803) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-[3-(methylamino)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[3-(methylamino)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
PubChem CID115300803
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name6-[3-(methylamino)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
SMILESCNC1CCN(c2n[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C8H13N5O2/c1-9-5-2-3-13(4-5)6-7(14)10-8(15)12-11-6/h5,9H,2-4H2,1H3,(H2,10,12,14,15)
InChIKeyPNRFVQYCDSBBPO-UHFFFAOYSA-N
XLogP-1.74
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(methylamino)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[3-(methylamino)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione (CID 115300803) is 6-[3-(methylamino)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[3-(methylamino)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[3-(methylamino)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione is CNC1CCN(c2n[nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of 6-[3-(methylamino)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is PNRFVQYCDSBBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-9-5-2-3-13(4-5)6-7(14)10-8(15)12-11-6/h5,9H,2-4H2,1H3,(H2,10,12,14,15).
What are the key properties of 6-[3-(methylamino)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
6-[3-(methylamino)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 211.22 g/mol, XLogP of -1.74, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methylamino)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 115300803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).