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

C13H23N5O2 — CID 60666970

IUPAC2,4-dimethyl-6-[(1-propylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione
SMILESCCCN1CCC(Nc2nn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C13H23N5O2/c1-4-7-18-8-5-10(6-9-18)14-11-12(19)16(2)13(20)17(3)15-11/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyMKSNQFPKMKQBBT-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.23
Rot. Bonds4

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

2,4-dimethyl-6-[(1-propylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione (PubChem CID 60666970) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2,4-dimethyl-6-[(1-propylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-[(1-propylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione
PubChem CID60666970
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2,4-dimethyl-6-[(1-propylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione
SMILESCCCN1CCC(Nc2nn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C13H23N5O2/c1-4-7-18-8-5-10(6-9-18)14-11-12(19)16(2)13(20)17(3)15-11/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyMKSNQFPKMKQBBT-UHFFFAOYSA-N
XLogP-0.23
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[(1-propylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-[(1-propylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione (CID 60666970) is 2,4-dimethyl-6-[(1-propylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-[(1-propylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-[(1-propylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione is CCCN1CCC(Nc2nn(C)c(=O)n(C)c2=O)CC1.
What is the InChIKey of 2,4-dimethyl-6-[(1-propylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione?
The InChIKey is MKSNQFPKMKQBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-4-7-18-8-5-10(6-9-18)14-11-12(19)16(2)13(20)17(3)15-11/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 2,4-dimethyl-6-[(1-propylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-[(1-propylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione has a molecular weight of 281.36 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[(1-propylpiperidin-4-yl)amino]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 60666970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).