4-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]cyclohexane-1-carboxamide

C14H19N5O — CID 78954556

IUPAC4-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]cyclohexane-1-carboxamide
SMILESCc1nnc(NC2CCC(C(N)=O)CC2)c(C#N)c1C
InChIInChI=1S/C14H19N5O/c1-8-9(2)18-19-14(12(8)7-15)17-11-5-3-10(4-6-11)13(16)20/h10-11H,3-6H2,1-2H3,(H2,16,20)(H,17,19)
InChIKeyXGSOUNXOCULXAO-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.42
Rot. Bonds3

About 4-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]cyclohexane-1-carboxamide

4-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]cyclohexane-1-carboxamide (PubChem CID 78954556) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]cyclohexane-1-carboxamide
PubChem CID78954556
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]cyclohexane-1-carboxamide
SMILESCc1nnc(NC2CCC(C(N)=O)CC2)c(C#N)c1C
InChIInChI=1S/C14H19N5O/c1-8-9(2)18-19-14(12(8)7-15)17-11-5-3-10(4-6-11)13(16)20/h10-11H,3-6H2,1-2H3,(H2,16,20)(H,17,19)
InChIKeyXGSOUNXOCULXAO-UHFFFAOYSA-N
XLogP1.42
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]cyclohexane-1-carboxamide (CID 78954556) is 4-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]cyclohexane-1-carboxamide is Cc1nnc(NC2CCC(C(N)=O)CC2)c(C#N)c1C.
What is the InChIKey of 4-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is XGSOUNXOCULXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-8-9(2)18-19-14(12(8)7-15)17-11-5-3-10(4-6-11)13(16)20/h10-11H,3-6H2,1-2H3,(H2,16,20)(H,17,19).
What are the key properties of 4-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]cyclohexane-1-carboxamide?
4-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 78954556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).