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

C9H13N5O3 — CID 64667199

IUPAC6-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCN1CC(Nc2n[nH]c(=O)[nH]c2=O)CCC1=O
InChIInChI=1S/C9H13N5O3/c1-14-4-5(2-3-6(14)15)10-7-8(16)11-9(17)13-12-7/h5H,2-4H2,1H3,(H,10,12)(H2,11,13,16,17)
InChIKeySIAGGQVOUGXSAF-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.51
Rot. Bonds2

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

6-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 64667199) has the molecular formula C9H13N5O3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 6-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID64667199
Molecular FormulaC9H13N5O3
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC Name6-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCN1CC(Nc2n[nH]c(=O)[nH]c2=O)CCC1=O
InChIInChI=1S/C9H13N5O3/c1-14-4-5(2-3-6(14)15)10-7-8(16)11-9(17)13-12-7/h5H,2-4H2,1H3,(H,10,12)(H2,11,13,16,17)
InChIKeySIAGGQVOUGXSAF-UHFFFAOYSA-N
XLogP-1.51
TPSA110.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione (CID 64667199) is 6-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione is CN1CC(Nc2n[nH]c(=O)[nH]c2=O)CCC1=O.
What is the InChIKey of 6-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is SIAGGQVOUGXSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c1-14-4-5(2-3-6(14)15)10-7-8(16)11-9(17)13-12-7/h5H,2-4H2,1H3,(H,10,12)(H2,11,13,16,17).
What are the key properties of 6-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 239.23 g/mol, XLogP of -1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 64667199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).