6-[(1-ethylpiperidin-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C12H21N5O2 — CID 60667028

IUPAC6-[(1-ethylpiperidin-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCN1CCC(Nc2nn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C12H21N5O2/c1-4-17-7-5-9(6-8-17)13-10-11(18)15(2)12(19)16(3)14-10/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyPIZOOMKHICDVLJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.62
Rot. Bonds3

About 6-[(1-ethylpiperidin-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[(1-ethylpiperidin-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 60667028) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-[(1-ethylpiperidin-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(1-ethylpiperidin-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID60667028
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name6-[(1-ethylpiperidin-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCN1CCC(Nc2nn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C12H21N5O2/c1-4-17-7-5-9(6-8-17)13-10-11(18)15(2)12(19)16(3)14-10/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyPIZOOMKHICDVLJ-UHFFFAOYSA-N
XLogP-0.62
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpiperidin-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(1-ethylpiperidin-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 60667028) is 6-[(1-ethylpiperidin-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(1-ethylpiperidin-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(1-ethylpiperidin-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CCN1CCC(Nc2nn(C)c(=O)n(C)c2=O)CC1.
What is the InChIKey of 6-[(1-ethylpiperidin-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is PIZOOMKHICDVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-17-7-5-9(6-8-17)13-10-11(18)15(2)12(19)16(3)14-10/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 6-[(1-ethylpiperidin-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(1-ethylpiperidin-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 267.33 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpiperidin-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 60667028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).