4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazine-1-carboxylic acid

C10H15N5O4 — CID 67159124

IUPAC4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazine-1-carboxylic acid
SMILESCn1nc(N2CCN(C(=O)O)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C10H15N5O4/c1-12-8(16)7(11-13(2)9(12)17)14-3-5-15(6-4-14)10(18)19/h3-6H2,1-2H3,(H,18,19)
InChIKeyZDHOMMMFBRQIBX-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.72
Rot. Bonds1

About 4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazine-1-carboxylic acid

4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazine-1-carboxylic acid (PubChem CID 67159124) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazine-1-carboxylic acid
PubChem CID67159124
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazine-1-carboxylic acid
SMILESCn1nc(N2CCN(C(=O)O)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C10H15N5O4/c1-12-8(16)7(11-13(2)9(12)17)14-3-5-15(6-4-14)10(18)19/h3-6H2,1-2H3,(H,18,19)
InChIKeyZDHOMMMFBRQIBX-UHFFFAOYSA-N
XLogP-1.72
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazine-1-carboxylic acid (CID 67159124) is 4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazine-1-carboxylic acid is Cn1nc(N2CCN(C(=O)O)CC2)c(=O)n(C)c1=O.
What is the InChIKey of 4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazine-1-carboxylic acid?
The InChIKey is ZDHOMMMFBRQIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c1-12-8(16)7(11-13(2)9(12)17)14-3-5-15(6-4-14)10(18)19/h3-6H2,1-2H3,(H,18,19).
What are the key properties of 4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazine-1-carboxylic acid?
4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazine-1-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of -1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 67159124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).