3-[(6-chloro-4,5-dimethylpyridazin-3-yl)-cyclopropylamino]propanenitrile

C12H15ClN4 — CID 63271985

IUPAC3-[(6-chloro-4,5-dimethylpyridazin-3-yl)-cyclopropylamino]propanenitrile
SMILESCc1c(Cl)nnc(N(CCC#N)C2CC2)c1C
InChIInChI=1S/C12H15ClN4/c1-8-9(2)12(16-15-11(8)13)17(7-3-6-14)10-4-5-10/h10H,3-5,7H2,1-2H3
InChIKeyHCNNRSJJRCVTSH-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.63
Rot. Bonds4

About 3-[(6-chloro-4,5-dimethylpyridazin-3-yl)-cyclopropylamino]propanenitrile

3-[(6-chloro-4,5-dimethylpyridazin-3-yl)-cyclopropylamino]propanenitrile (PubChem CID 63271985) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 3-[(6-chloro-4,5-dimethylpyridazin-3-yl)-cyclopropylamino]propanenitrile.

Molecular Properties

Compound Name3-[(6-chloro-4,5-dimethylpyridazin-3-yl)-cyclopropylamino]propanenitrile
PubChem CID63271985
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name3-[(6-chloro-4,5-dimethylpyridazin-3-yl)-cyclopropylamino]propanenitrile
SMILESCc1c(Cl)nnc(N(CCC#N)C2CC2)c1C
InChIInChI=1S/C12H15ClN4/c1-8-9(2)12(16-15-11(8)13)17(7-3-6-14)10-4-5-10/h10H,3-5,7H2,1-2H3
InChIKeyHCNNRSJJRCVTSH-UHFFFAOYSA-N
XLogP2.63
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-4,5-dimethylpyridazin-3-yl)-cyclopropylamino]propanenitrile?
The IUPAC name of 3-[(6-chloro-4,5-dimethylpyridazin-3-yl)-cyclopropylamino]propanenitrile (CID 63271985) is 3-[(6-chloro-4,5-dimethylpyridazin-3-yl)-cyclopropylamino]propanenitrile.
What is the SMILES notation for 3-[(6-chloro-4,5-dimethylpyridazin-3-yl)-cyclopropylamino]propanenitrile?
The canonical SMILES for 3-[(6-chloro-4,5-dimethylpyridazin-3-yl)-cyclopropylamino]propanenitrile is Cc1c(Cl)nnc(N(CCC#N)C2CC2)c1C.
What is the InChIKey of 3-[(6-chloro-4,5-dimethylpyridazin-3-yl)-cyclopropylamino]propanenitrile?
The InChIKey is HCNNRSJJRCVTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-8-9(2)12(16-15-11(8)13)17(7-3-6-14)10-4-5-10/h10H,3-5,7H2,1-2H3.
What are the key properties of 3-[(6-chloro-4,5-dimethylpyridazin-3-yl)-cyclopropylamino]propanenitrile?
3-[(6-chloro-4,5-dimethylpyridazin-3-yl)-cyclopropylamino]propanenitrile has a molecular weight of 250.73 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-4,5-dimethylpyridazin-3-yl)-cyclopropylamino]propanenitrile is sourced from PubChem (CID 63271985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).