4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylic acid

C9H10Cl2N4O2 — CID 87524572

IUPAC4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2cc(Cl)nnc2Cl)CC1
InChIInChI=1S/C9H10Cl2N4O2/c10-7-5-6(8(11)13-12-7)14-1-3-15(4-2-14)9(16)17/h5H,1-4H2,(H,16,17)
InChIKeyNXOJTLPRSUJDEI-UHFFFAOYSA-N
MW277.11 g/mol
LogP1.58
Rot. Bonds1

About 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylic acid

4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylic acid (PubChem CID 87524572) has the molecular formula C9H10Cl2N4O2 and a molecular weight of 277.11 g/mol. Its IUPAC name is 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylic acid
PubChem CID87524572
Molecular FormulaC9H10Cl2N4O2
Molecular Weight277.11 g/mol
Exact Mass276.02
IUPAC Name4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2cc(Cl)nnc2Cl)CC1
InChIInChI=1S/C9H10Cl2N4O2/c10-7-5-6(8(11)13-12-7)14-1-3-15(4-2-14)9(16)17/h5H,1-4H2,(H,16,17)
InChIKeyNXOJTLPRSUJDEI-UHFFFAOYSA-N
XLogP1.58
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylic acid (CID 87524572) is 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylic acid is O=C(O)N1CCN(c2cc(Cl)nnc2Cl)CC1.
What is the InChIKey of 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylic acid?
The InChIKey is NXOJTLPRSUJDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N4O2/c10-7-5-6(8(11)13-12-7)14-1-3-15(4-2-14)9(16)17/h5H,1-4H2,(H,16,17).
What are the key properties of 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylic acid?
4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylic acid has a molecular weight of 277.11 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 87524572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).