3-[(3,3-difluoro-2-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile

C10H12F2N4O — CID 113250593

IUPAC3-[(3,3-difluoro-2-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NCC(O)C(F)F)c(C#N)c1C
InChIInChI=1S/C10H12F2N4O/c1-5-6(2)15-16-10(7(5)3-13)14-4-8(17)9(11)12/h8-9,17H,4H2,1-2H3,(H,14,16)
InChIKeyFJSSHELCZCHTQP-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.00
Rot. Bonds4

About 3-[(3,3-difluoro-2-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile

3-[(3,3-difluoro-2-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 113250593) has the molecular formula C10H12F2N4O and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-[(3,3-difluoro-2-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(3,3-difluoro-2-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID113250593
Molecular FormulaC10H12F2N4O
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name3-[(3,3-difluoro-2-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NCC(O)C(F)F)c(C#N)c1C
InChIInChI=1S/C10H12F2N4O/c1-5-6(2)15-16-10(7(5)3-13)14-4-8(17)9(11)12/h8-9,17H,4H2,1-2H3,(H,14,16)
InChIKeyFJSSHELCZCHTQP-UHFFFAOYSA-N
XLogP1.00
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluoro-2-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[(3,3-difluoro-2-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile (CID 113250593) is 3-[(3,3-difluoro-2-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(3,3-difluoro-2-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[(3,3-difluoro-2-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(NCC(O)C(F)F)c(C#N)c1C.
What is the InChIKey of 3-[(3,3-difluoro-2-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is FJSSHELCZCHTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4O/c1-5-6(2)15-16-10(7(5)3-13)14-4-8(17)9(11)12/h8-9,17H,4H2,1-2H3,(H,14,16).
What are the key properties of 3-[(3,3-difluoro-2-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[(3,3-difluoro-2-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 242.23 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluoro-2-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 113250593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).