6-piperazin-1-yl-N-pyridin-4-ylpyridazin-3-amine

C13H16N6 — CID 99980102

IUPAC6-piperazin-1-yl-N-pyridin-4-ylpyridazin-3-amine
SMILESc1cc(Nc2ccc(N3CCNCC3)nn2)ccn1
InChIInChI=1S/C13H16N6/c1-2-13(19-9-7-15-8-10-19)18-17-12(1)16-11-3-5-14-6-4-11/h1-6,15H,7-10H2,(H,14,16,17)
InChIKeyZXAUARAEFYSXGM-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.02
Rot. Bonds3

About 6-piperazin-1-yl-N-pyridin-4-ylpyridazin-3-amine

6-piperazin-1-yl-N-pyridin-4-ylpyridazin-3-amine (PubChem CID 99980102) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-piperazin-1-yl-N-pyridin-4-ylpyridazin-3-amine.

Molecular Properties

Compound Name6-piperazin-1-yl-N-pyridin-4-ylpyridazin-3-amine
PubChem CID99980102
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name6-piperazin-1-yl-N-pyridin-4-ylpyridazin-3-amine
SMILESc1cc(Nc2ccc(N3CCNCC3)nn2)ccn1
InChIInChI=1S/C13H16N6/c1-2-13(19-9-7-15-8-10-19)18-17-12(1)16-11-3-5-14-6-4-11/h1-6,15H,7-10H2,(H,14,16,17)
InChIKeyZXAUARAEFYSXGM-UHFFFAOYSA-N
XLogP1.02
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-yl-N-pyridin-4-ylpyridazin-3-amine?
The IUPAC name of 6-piperazin-1-yl-N-pyridin-4-ylpyridazin-3-amine (CID 99980102) is 6-piperazin-1-yl-N-pyridin-4-ylpyridazin-3-amine.
What is the SMILES notation for 6-piperazin-1-yl-N-pyridin-4-ylpyridazin-3-amine?
The canonical SMILES for 6-piperazin-1-yl-N-pyridin-4-ylpyridazin-3-amine is c1cc(Nc2ccc(N3CCNCC3)nn2)ccn1.
What is the InChIKey of 6-piperazin-1-yl-N-pyridin-4-ylpyridazin-3-amine?
The InChIKey is ZXAUARAEFYSXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-2-13(19-9-7-15-8-10-19)18-17-12(1)16-11-3-5-14-6-4-11/h1-6,15H,7-10H2,(H,14,16,17).
What are the key properties of 6-piperazin-1-yl-N-pyridin-4-ylpyridazin-3-amine?
6-piperazin-1-yl-N-pyridin-4-ylpyridazin-3-amine has a molecular weight of 256.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-yl-N-pyridin-4-ylpyridazin-3-amine is sourced from PubChem (CID 99980102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).