5,6-dimethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile

C12H17N5 — CID 78990540

IUPAC5,6-dimethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile
SMILESCc1nnc(NC2CCCNC2)c(C#N)c1C
InChIInChI=1S/C12H17N5/c1-8-9(2)16-17-12(11(8)6-13)15-10-4-3-5-14-7-10/h10,14H,3-5,7H2,1-2H3,(H,15,17)
InChIKeyLIRHYVWKZSRZFT-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.13
Rot. Bonds2

About 5,6-dimethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile

5,6-dimethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile (PubChem CID 78990540) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5,6-dimethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile
PubChem CID78990540
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name5,6-dimethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile
SMILESCc1nnc(NC2CCCNC2)c(C#N)c1C
InChIInChI=1S/C12H17N5/c1-8-9(2)16-17-12(11(8)6-13)15-10-4-3-5-14-7-10/h10,14H,3-5,7H2,1-2H3,(H,15,17)
InChIKeyLIRHYVWKZSRZFT-UHFFFAOYSA-N
XLogP1.13
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile (CID 78990540) is 5,6-dimethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile is Cc1nnc(NC2CCCNC2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile?
The InChIKey is LIRHYVWKZSRZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-8-9(2)16-17-12(11(8)6-13)15-10-4-3-5-14-7-10/h10,14H,3-5,7H2,1-2H3,(H,15,17).
What are the key properties of 5,6-dimethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile?
5,6-dimethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 78990540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).