2-methyl-2-[(6-propylpyridazin-3-yl)amino]propanenitrile

C11H16N4 — CID 116972037

IUPAC2-methyl-2-[(6-propylpyridazin-3-yl)amino]propanenitrile
SMILESCCCc1ccc(NC(C)(C)C#N)nn1
InChIInChI=1S/C11H16N4/c1-4-5-9-6-7-10(15-14-9)13-11(2,3)8-12/h6-7H,4-5H2,1-3H3,(H,13,15)
InChIKeyZAMGTKFYZPBJCD-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.14
Rot. Bonds4

About 2-methyl-2-[(6-propylpyridazin-3-yl)amino]propanenitrile

2-methyl-2-[(6-propylpyridazin-3-yl)amino]propanenitrile (PubChem CID 116972037) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-methyl-2-[(6-propylpyridazin-3-yl)amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[(6-propylpyridazin-3-yl)amino]propanenitrile
PubChem CID116972037
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name2-methyl-2-[(6-propylpyridazin-3-yl)amino]propanenitrile
SMILESCCCc1ccc(NC(C)(C)C#N)nn1
InChIInChI=1S/C11H16N4/c1-4-5-9-6-7-10(15-14-9)13-11(2,3)8-12/h6-7H,4-5H2,1-3H3,(H,13,15)
InChIKeyZAMGTKFYZPBJCD-UHFFFAOYSA-N
XLogP2.14
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,2-dimethyl-2-N-(6-propylpyridazin-3-yl)propane-1,2-diamine
CID 116971625
methyl 2-[(6-propylpyridazin-3-yl)amino]acetate
CID 116971973
N-(2-piperidin-4-ylethyl)-6-propylpyridazin-3-amine
CID 116972215
N-(azetidin-3-yl)-6-propylpyridazin-3-amine
CID 116970918
3-[(6-ethylpyridazin-3-yl)amino]propanenitrile
CID 116971907
2-(4-ethylanilino)-2-methylpropanenitrile
CID 82125457
N-piperidin-3-yl-6-propylpyridazin-3-amine
CID 116971005
6-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazine-3-carbonitrile
CID 133420472
2-(4-ethylsulfanylanilino)-2-methylpropanenitrile
CID 115129026
N-(2-cyanopropan-2-yl)-4-propylbenzenesulfonamide
CID 61126681
[6-(4-propylphenyl)pyridazin-3-yl]cyanamide
CID 116971705
2-(4-chloroanilino)-2-methylpropanenitrile
CID 60719830

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(6-propylpyridazin-3-yl)amino]propanenitrile?
The IUPAC name of 2-methyl-2-[(6-propylpyridazin-3-yl)amino]propanenitrile (CID 116972037) is 2-methyl-2-[(6-propylpyridazin-3-yl)amino]propanenitrile.
What is the SMILES notation for 2-methyl-2-[(6-propylpyridazin-3-yl)amino]propanenitrile?
The canonical SMILES for 2-methyl-2-[(6-propylpyridazin-3-yl)amino]propanenitrile is CCCc1ccc(NC(C)(C)C#N)nn1.
What is the InChIKey of 2-methyl-2-[(6-propylpyridazin-3-yl)amino]propanenitrile?
The InChIKey is ZAMGTKFYZPBJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-4-5-9-6-7-10(15-14-9)13-11(2,3)8-12/h6-7H,4-5H2,1-3H3,(H,13,15).
What are the key properties of 2-methyl-2-[(6-propylpyridazin-3-yl)amino]propanenitrile?
2-methyl-2-[(6-propylpyridazin-3-yl)amino]propanenitrile has a molecular weight of 204.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(6-propylpyridazin-3-yl)amino]propanenitrile is sourced from PubChem (CID 116972037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).