3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile

C12H18N4 — CID 55139329

IUPAC3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NCC(C)(C)C)c(C#N)c1C
InChIInChI=1S/C12H18N4/c1-8-9(2)15-16-11(10(8)6-13)14-7-12(3,4)5/h7H2,1-5H3,(H,14,16)
InChIKeyJQRMZHANWFKHSV-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.42
Rot. Bonds2

About 3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile

3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 55139329) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID55139329
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NCC(C)(C)C)c(C#N)c1C
InChIInChI=1S/C12H18N4/c1-8-9(2)15-16-11(10(8)6-13)14-7-12(3,4)5/h7H2,1-5H3,(H,14,16)
InChIKeyJQRMZHANWFKHSV-UHFFFAOYSA-N
XLogP2.42
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile (CID 55139329) is 3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(NCC(C)(C)C)c(C#N)c1C.
What is the InChIKey of 3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is JQRMZHANWFKHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-8-9(2)15-16-11(10(8)6-13)14-7-12(3,4)5/h7H2,1-5H3,(H,14,16).
What are the key properties of 3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile?
3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 55139329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).