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

C13H19N5O3 — CID 9453068

IUPAC6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2CCN(C(=O)C3CC3)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H19N5O3/c1-15-12(20)10(14-16(2)13(15)21)17-5-7-18(8-6-17)11(19)9-3-4-9/h9H,3-8H2,1-2H3
InChIKeyXAAASLKMAAUTIU-UHFFFAOYSA-N
MW293.33 g/mol
LogP-1.46
Rot. Bonds2

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

6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 9453068) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID9453068
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2CCN(C(=O)C3CC3)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H19N5O3/c1-15-12(20)10(14-16(2)13(15)21)17-5-7-18(8-6-17)11(19)9-3-4-9/h9H,3-8H2,1-2H3
InChIKeyXAAASLKMAAUTIU-UHFFFAOYSA-N
XLogP-1.46
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-1.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 9453068) is 6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(N2CCN(C(=O)C3CC3)CC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is XAAASLKMAAUTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-15-12(20)10(14-16(2)13(15)21)17-5-7-18(8-6-17)11(19)9-3-4-9/h9H,3-8H2,1-2H3.
What are the key properties of 6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 293.33 g/mol, XLogP of -1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 9453068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).