5,6-dimethyl-3-(2-pyrrolidin-1-ylpropylamino)pyridazine-4-carbonitrile

C14H21N5 — CID 112726802

IUPAC5,6-dimethyl-3-(2-pyrrolidin-1-ylpropylamino)pyridazine-4-carbonitrile
SMILESCc1nnc(NCC(C)N2CCCC2)c(C#N)c1C
InChIInChI=1S/C14H21N5/c1-10(19-6-4-5-7-19)9-16-14-13(8-15)11(2)12(3)17-18-14/h10H,4-7,9H2,1-3H3,(H,16,18)
InChIKeyHRVMUZHPXBOJDM-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.86
Rot. Bonds4

About 5,6-dimethyl-3-(2-pyrrolidin-1-ylpropylamino)pyridazine-4-carbonitrile

5,6-dimethyl-3-(2-pyrrolidin-1-ylpropylamino)pyridazine-4-carbonitrile (PubChem CID 112726802) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 5,6-dimethyl-3-(2-pyrrolidin-1-ylpropylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-(2-pyrrolidin-1-ylpropylamino)pyridazine-4-carbonitrile
PubChem CID112726802
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name5,6-dimethyl-3-(2-pyrrolidin-1-ylpropylamino)pyridazine-4-carbonitrile
SMILESCc1nnc(NCC(C)N2CCCC2)c(C#N)c1C
InChIInChI=1S/C14H21N5/c1-10(19-6-4-5-7-19)9-16-14-13(8-15)11(2)12(3)17-18-14/h10H,4-7,9H2,1-3H3,(H,16,18)
InChIKeyHRVMUZHPXBOJDM-UHFFFAOYSA-N
XLogP1.86
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(2-pyrrolidin-1-ylpropylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-(2-pyrrolidin-1-ylpropylamino)pyridazine-4-carbonitrile (CID 112726802) is 5,6-dimethyl-3-(2-pyrrolidin-1-ylpropylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-(2-pyrrolidin-1-ylpropylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-(2-pyrrolidin-1-ylpropylamino)pyridazine-4-carbonitrile is Cc1nnc(NCC(C)N2CCCC2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-(2-pyrrolidin-1-ylpropylamino)pyridazine-4-carbonitrile?
The InChIKey is HRVMUZHPXBOJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-10(19-6-4-5-7-19)9-16-14-13(8-15)11(2)12(3)17-18-14/h10H,4-7,9H2,1-3H3,(H,16,18).
What are the key properties of 5,6-dimethyl-3-(2-pyrrolidin-1-ylpropylamino)pyridazine-4-carbonitrile?
5,6-dimethyl-3-(2-pyrrolidin-1-ylpropylamino)pyridazine-4-carbonitrile has a molecular weight of 259.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(2-pyrrolidin-1-ylpropylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 112726802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).