3-[furan-2-ylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carbonitrile

C13H14N4O — CID 31535910

IUPAC3-[furan-2-ylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(N(C)Cc2ccco2)c(C#N)c1C
InChIInChI=1S/C13H14N4O/c1-9-10(2)15-16-13(12(9)7-14)17(3)8-11-5-4-6-18-11/h4-6H,8H2,1-3H3
InChIKeyJEVMECXBAGLJNQ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.19
Rot. Bonds3

About 3-[furan-2-ylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carbonitrile

3-[furan-2-ylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 31535910) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-[furan-2-ylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[furan-2-ylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID31535910
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name3-[furan-2-ylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(N(C)Cc2ccco2)c(C#N)c1C
InChIInChI=1S/C13H14N4O/c1-9-10(2)15-16-13(12(9)7-14)17(3)8-11-5-4-6-18-11/h4-6H,8H2,1-3H3
InChIKeyJEVMECXBAGLJNQ-UHFFFAOYSA-N
XLogP2.19
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[furan-2-ylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[furan-2-ylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carbonitrile (CID 31535910) is 3-[furan-2-ylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[furan-2-ylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[furan-2-ylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(N(C)Cc2ccco2)c(C#N)c1C.
What is the InChIKey of 3-[furan-2-ylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is JEVMECXBAGLJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9-10(2)15-16-13(12(9)7-14)17(3)8-11-5-4-6-18-11/h4-6H,8H2,1-3H3.
What are the key properties of 3-[furan-2-ylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[furan-2-ylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 242.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[furan-2-ylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 31535910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).