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

C14H16F2N6 — CID 133360380

IUPAC3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(NCc2nccn2C(F)F)c(C#N)c1CC
InChIInChI=1S/C14H16F2N6/c1-3-9-10(7-17)13(21-20-11(9)4-2)19-8-12-18-5-6-22(12)14(15)16/h5-6,14H,3-4,8H2,1-2H3,(H,19,21)
InChIKeyGALPSHMOXROPAC-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.68
Rot. Bonds6

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

3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 133360380) has the molecular formula C14H16F2N6 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-diethylpyridazine-4-carbonitrile
PubChem CID133360380
Molecular FormulaC14H16F2N6
Molecular Weight306.32 g/mol
Exact Mass306.14
IUPAC Name3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(NCc2nccn2C(F)F)c(C#N)c1CC
InChIInChI=1S/C14H16F2N6/c1-3-9-10(7-17)13(21-20-11(9)4-2)19-8-12-18-5-6-22(12)14(15)16/h5-6,14H,3-4,8H2,1-2H3,(H,19,21)
InChIKeyGALPSHMOXROPAC-UHFFFAOYSA-N
XLogP2.68
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.68
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-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-diethylpyridazine-4-carbonitrile (CID 133360380) is 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(NCc2nccn2C(F)F)c(C#N)c1CC.
What is the InChIKey of 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is GALPSHMOXROPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N6/c1-3-9-10(7-17)13(21-20-11(9)4-2)19-8-12-18-5-6-22(12)14(15)16/h5-6,14H,3-4,8H2,1-2H3,(H,19,21).
What are the key properties of 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-diethylpyridazine-4-carbonitrile?
3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 306.32 g/mol, XLogP of 2.68, 6 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-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 133360380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).