3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile

C12H12F2N6 — CID 133276532

IUPAC3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NCc2nccn2C(F)F)c(C#N)c1C
InChIInChI=1S/C12H12F2N6/c1-7-8(2)18-19-11(9(7)5-15)17-6-10-16-3-4-20(10)12(13)14/h3-4,12H,6H2,1-2H3,(H,17,19)
InChIKeyMBSAHHLCHBPBQI-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.17
Rot. Bonds4

About 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile

3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 133276532) has the molecular formula C12H12F2N6 and a molecular weight of 278.27 g/mol. Its IUPAC name is 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID133276532
Molecular FormulaC12H12F2N6
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NCc2nccn2C(F)F)c(C#N)c1C
InChIInChI=1S/C12H12F2N6/c1-7-8(2)18-19-11(9(7)5-15)17-6-10-16-3-4-20(10)12(13)14/h3-4,12H,6H2,1-2H3,(H,17,19)
InChIKeyMBSAHHLCHBPBQI-UHFFFAOYSA-N
XLogP2.17
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile (CID 133276532) is 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(NCc2nccn2C(F)F)c(C#N)c1C.
What is the InChIKey of 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is MBSAHHLCHBPBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N6/c1-7-8(2)18-19-11(9(7)5-15)17-6-10-16-3-4-20(10)12(13)14/h3-4,12H,6H2,1-2H3,(H,17,19).
What are the key properties of 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 278.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 133276532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).