6-(1-fluoropropan-2-ylamino)pyridazine-3-carbonitrile

C8H9FN4 — CID 126988257

IUPAC6-(1-fluoropropan-2-ylamino)pyridazine-3-carbonitrile
SMILESCC(CF)Nc1ccc(C#N)nn1
InChIInChI=1S/C8H9FN4/c1-6(4-9)11-8-3-2-7(5-10)12-13-8/h2-3,6H,4H2,1H3,(H,11,13)
InChIKeyBQKGYLGUQHNXCP-UHFFFAOYSA-N
MW180.19 g/mol
LogP1.12
Rot. Bonds3

About 6-(1-fluoropropan-2-ylamino)pyridazine-3-carbonitrile

6-(1-fluoropropan-2-ylamino)pyridazine-3-carbonitrile (PubChem CID 126988257) has the molecular formula C8H9FN4 and a molecular weight of 180.19 g/mol. Its IUPAC name is 6-(1-fluoropropan-2-ylamino)pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-fluoropropan-2-ylamino)pyridazine-3-carbonitrile
PubChem CID126988257
Molecular FormulaC8H9FN4
Molecular Weight180.19 g/mol
Exact Mass180.08
IUPAC Name6-(1-fluoropropan-2-ylamino)pyridazine-3-carbonitrile
SMILESCC(CF)Nc1ccc(C#N)nn1
InChIInChI=1S/C8H9FN4/c1-6(4-9)11-8-3-2-7(5-10)12-13-8/h2-3,6H,4H2,1H3,(H,11,13)
InChIKeyBQKGYLGUQHNXCP-UHFFFAOYSA-N
XLogP1.12
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-fluoropropan-2-ylamino)pyridazine-3-carbonitrile?
The IUPAC name of 6-(1-fluoropropan-2-ylamino)pyridazine-3-carbonitrile (CID 126988257) is 6-(1-fluoropropan-2-ylamino)pyridazine-3-carbonitrile.
What is the SMILES notation for 6-(1-fluoropropan-2-ylamino)pyridazine-3-carbonitrile?
The canonical SMILES for 6-(1-fluoropropan-2-ylamino)pyridazine-3-carbonitrile is CC(CF)Nc1ccc(C#N)nn1.
What is the InChIKey of 6-(1-fluoropropan-2-ylamino)pyridazine-3-carbonitrile?
The InChIKey is BQKGYLGUQHNXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN4/c1-6(4-9)11-8-3-2-7(5-10)12-13-8/h2-3,6H,4H2,1H3,(H,11,13).
What are the key properties of 6-(1-fluoropropan-2-ylamino)pyridazine-3-carbonitrile?
6-(1-fluoropropan-2-ylamino)pyridazine-3-carbonitrile has a molecular weight of 180.19 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-fluoropropan-2-ylamino)pyridazine-3-carbonitrile is sourced from PubChem (CID 126988257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).