1-phenyl-N-pyridazin-3-ylethane-1,2-diamine

C12H14N4 — CID 63760549

IUPAC1-phenyl-N-pyridazin-3-ylethane-1,2-diamine
SMILESNCC(Nc1cccnn1)c1ccccc1
InChIInChI=1S/C12H14N4/c13-9-11(10-5-2-1-3-6-10)15-12-7-4-8-14-16-12/h1-8,11H,9,13H2,(H,15,16)
InChIKeyFDAHZORCBHXCLW-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.59
Rot. Bonds4

About 1-phenyl-N-pyridazin-3-ylethane-1,2-diamine

1-phenyl-N-pyridazin-3-ylethane-1,2-diamine (PubChem CID 63760549) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-phenyl-N-pyridazin-3-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-phenyl-N-pyridazin-3-ylethane-1,2-diamine
PubChem CID63760549
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name1-phenyl-N-pyridazin-3-ylethane-1,2-diamine
SMILESNCC(Nc1cccnn1)c1ccccc1
InChIInChI=1S/C12H14N4/c13-9-11(10-5-2-1-3-6-10)15-12-7-4-8-14-16-12/h1-8,11H,9,13H2,(H,15,16)
InChIKeyFDAHZORCBHXCLW-UHFFFAOYSA-N
XLogP1.59
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-pyridazin-3-ylethane-1,2-diamine?
The IUPAC name of 1-phenyl-N-pyridazin-3-ylethane-1,2-diamine (CID 63760549) is 1-phenyl-N-pyridazin-3-ylethane-1,2-diamine.
What is the SMILES notation for 1-phenyl-N-pyridazin-3-ylethane-1,2-diamine?
The canonical SMILES for 1-phenyl-N-pyridazin-3-ylethane-1,2-diamine is NCC(Nc1cccnn1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-pyridazin-3-ylethane-1,2-diamine?
The InChIKey is FDAHZORCBHXCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c13-9-11(10-5-2-1-3-6-10)15-12-7-4-8-14-16-12/h1-8,11H,9,13H2,(H,15,16).
What are the key properties of 1-phenyl-N-pyridazin-3-ylethane-1,2-diamine?
1-phenyl-N-pyridazin-3-ylethane-1,2-diamine has a molecular weight of 214.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-pyridazin-3-ylethane-1,2-diamine is sourced from PubChem (CID 63760549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).