3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile

C10H9F3N4 — CID 80510540

IUPAC3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H9F3N4/c11-10(12,13)6-17(8-1-2-8)9-7(5-14)3-4-15-16-9/h3-4,8H,1-2,6H2
InChIKeyUZFQIJPJZCPGSQ-UHFFFAOYSA-N
MW242.20 g/mol
LogP1.88
Rot. Bonds3

About 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile

3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile (PubChem CID 80510540) has the molecular formula C10H9F3N4 and a molecular weight of 242.20 g/mol. Its IUPAC name is 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile
PubChem CID80510540
Molecular FormulaC10H9F3N4
Molecular Weight242.20 g/mol
Exact Mass242.08
IUPAC Name3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H9F3N4/c11-10(12,13)6-17(8-1-2-8)9-7(5-14)3-4-15-16-9/h3-4,8H,1-2,6H2
InChIKeyUZFQIJPJZCPGSQ-UHFFFAOYSA-N
XLogP1.88
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile (CID 80510540) is 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile is N#Cc1ccnnc1N(CC(F)(F)F)C1CC1.
What is the InChIKey of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile?
The InChIKey is UZFQIJPJZCPGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4/c11-10(12,13)6-17(8-1-2-8)9-7(5-14)3-4-15-16-9/h3-4,8H,1-2,6H2.
What are the key properties of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile?
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile has a molecular weight of 242.20 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80510540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).