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

C10H12F2N4O — CID 104858518

IUPAC3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NCC(F)(F)CO)c(C#N)c1C
InChIInChI=1S/C10H12F2N4O/c1-6-7(2)15-16-9(8(6)3-13)14-4-10(11,12)5-17/h17H,4-5H2,1-2H3,(H,14,16)
InChIKeyKQCXHOLENIEMSL-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.00
Rot. Bonds4

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

3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 104858518) has the molecular formula C10H12F2N4O and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID104858518
Molecular FormulaC10H12F2N4O
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NCC(F)(F)CO)c(C#N)c1C
InChIInChI=1S/C10H12F2N4O/c1-6-7(2)15-16-9(8(6)3-13)14-4-10(11,12)5-17/h17H,4-5H2,1-2H3,(H,14,16)
InChIKeyKQCXHOLENIEMSL-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-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile (CID 104858518) is 3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(NCC(F)(F)CO)c(C#N)c1C.
What is the InChIKey of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is KQCXHOLENIEMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4O/c1-6-7(2)15-16-9(8(6)3-13)14-4-10(11,12)5-17/h17H,4-5H2,1-2H3,(H,14,16).
What are the key properties of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[(2,2-difluoro-3-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-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 104858518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).