3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carbonitrile

C9H9F3N4 — CID 80510034

IUPAC3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carbonitrile
SMILESCN(CCC(F)(F)F)c1nnccc1C#N
InChIInChI=1S/C9H9F3N4/c1-16(5-3-9(10,11)12)8-7(6-13)2-4-14-15-8/h2,4H,3,5H2,1H3
InChIKeyINIBMPWBORULFM-UHFFFAOYSA-N
MW230.19 g/mol
LogP1.74
Rot. Bonds3

About 3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carbonitrile

3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carbonitrile (PubChem CID 80510034) has the molecular formula C9H9F3N4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carbonitrile
PubChem CID80510034
Molecular FormulaC9H9F3N4
Molecular Weight230.19 g/mol
Exact Mass230.08
IUPAC Name3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carbonitrile
SMILESCN(CCC(F)(F)F)c1nnccc1C#N
InChIInChI=1S/C9H9F3N4/c1-16(5-3-9(10,11)12)8-7(6-13)2-4-14-15-8/h2,4H,3,5H2,1H3
InChIKeyINIBMPWBORULFM-UHFFFAOYSA-N
XLogP1.74
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carbonitrile (CID 80510034) is 3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carbonitrile is CN(CCC(F)(F)F)c1nnccc1C#N.
What is the InChIKey of 3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carbonitrile?
The InChIKey is INIBMPWBORULFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4/c1-16(5-3-9(10,11)12)8-7(6-13)2-4-14-15-8/h2,4H,3,5H2,1H3.
What are the key properties of 3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carbonitrile?
3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carbonitrile has a molecular weight of 230.19 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80510034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).