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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Related Compounds

5,6-dimethyl-3-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]pyridazine-4-carbonitrile
CID 31537587
5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile
CID 78966585
5,6-dimethyl-3-(2-piperidin-1-ylpropylamino)pyridazine-4-carboxylic acid
CID 62710643
5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 61096643
2-[[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]methyl]-3-methylbutanoic acid
CID 80508263
5,6-dimethyl-3-[[(2S)-2-morpholin-4-yl-2-phenylethyl]amino]pyridazine-4-carbonitrile
CID 36724536
5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile
CID 104577322
3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 55139329
3-[2-(2-methoxyphenoxy)propylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 133324592
3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 47021427
5,6-dimethyl-3-[(1-methylcyclobutyl)methylamino]pyridazine-4-carbonitrile
CID 113251743
5,6-dimethyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile
CID 62639917

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).