2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-(2-methylpropyl)acetamide

C12H19ClN4O — CID 113405696

IUPAC2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCc1c(Cl)nnc(NCC(=O)NCC(C)C)c1C
InChIInChI=1S/C12H19ClN4O/c1-7(2)5-14-10(18)6-15-12-9(4)8(3)11(13)16-17-12/h7H,5-6H2,1-4H3,(H,14,18)(H,15,17)
InChIKeyJFKYMXHRXSVWCB-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.93
Rot. Bonds5

About 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-(2-methylpropyl)acetamide

2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-(2-methylpropyl)acetamide (PubChem CID 113405696) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-(2-methylpropyl)acetamide
PubChem CID113405696
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCc1c(Cl)nnc(NCC(=O)NCC(C)C)c1C
InChIInChI=1S/C12H19ClN4O/c1-7(2)5-14-10(18)6-15-12-9(4)8(3)11(13)16-17-12/h7H,5-6H2,1-4H3,(H,14,18)(H,15,17)
InChIKeyJFKYMXHRXSVWCB-UHFFFAOYSA-N
XLogP1.93
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-propylacetamide
CID 63271891
2-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 113405792
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 113405780
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-(2-methylpropyl)acetamide
CID 102759622
6-chloro-N-(2-methoxypropyl)-4,5-dimethylpyridazin-3-amine
CID 102699930
2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-1-cyclopropylethanol
CID 63297547
6-chloro-4,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyridazin-3-amine
CID 63959679
2-(4-methylanilino)-N-(2-methylpropyl)acetamide
CID 28585751
2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 106595759
2-[(5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 115714881
N-(2-methylpropyl)-2-[(1-methyltetrazol-5-yl)amino]acetamide
CID 115618185
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-(2-methylpropyl)acetamide (CID 113405696) is 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-(2-methylpropyl)acetamide is Cc1c(Cl)nnc(NCC(=O)NCC(C)C)c1C.
What is the InChIKey of 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-(2-methylpropyl)acetamide?
The InChIKey is JFKYMXHRXSVWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-7(2)5-14-10(18)6-15-12-9(4)8(3)11(13)16-17-12/h7H,5-6H2,1-4H3,(H,14,18)(H,15,17).
What are the key properties of 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-(2-methylpropyl)acetamide?
2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-(2-methylpropyl)acetamide has a molecular weight of 270.76 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 113405696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).