5,6-dimethyl-3-(2-methylpropylamino)pyridazine-4-carbonitrile

C11H16N4 — CID 31535324

IUPAC5,6-dimethyl-3-(2-methylpropylamino)pyridazine-4-carbonitrile
SMILESCc1nnc(NCC(C)C)c(C#N)c1C
InChIInChI=1S/C11H16N4/c1-7(2)6-13-11-10(5-12)8(3)9(4)14-15-11/h7H,6H2,1-4H3,(H,13,15)
InChIKeySLAVISWIWKSVGE-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.03
Rot. Bonds3

About 5,6-dimethyl-3-(2-methylpropylamino)pyridazine-4-carbonitrile

5,6-dimethyl-3-(2-methylpropylamino)pyridazine-4-carbonitrile (PubChem CID 31535324) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 5,6-dimethyl-3-(2-methylpropylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-(2-methylpropylamino)pyridazine-4-carbonitrile
PubChem CID31535324
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name5,6-dimethyl-3-(2-methylpropylamino)pyridazine-4-carbonitrile
SMILESCc1nnc(NCC(C)C)c(C#N)c1C
InChIInChI=1S/C11H16N4/c1-7(2)6-13-11-10(5-12)8(3)9(4)14-15-11/h7H,6H2,1-4H3,(H,13,15)
InChIKeySLAVISWIWKSVGE-UHFFFAOYSA-N
XLogP2.03
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(2-methylpropylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-(2-methylpropylamino)pyridazine-4-carbonitrile (CID 31535324) is 5,6-dimethyl-3-(2-methylpropylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-(2-methylpropylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-(2-methylpropylamino)pyridazine-4-carbonitrile is Cc1nnc(NCC(C)C)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-(2-methylpropylamino)pyridazine-4-carbonitrile?
The InChIKey is SLAVISWIWKSVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-7(2)6-13-11-10(5-12)8(3)9(4)14-15-11/h7H,6H2,1-4H3,(H,13,15).
What are the key properties of 5,6-dimethyl-3-(2-methylpropylamino)pyridazine-4-carbonitrile?
5,6-dimethyl-3-(2-methylpropylamino)pyridazine-4-carbonitrile has a molecular weight of 204.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(2-methylpropylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 31535324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).