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

C11H17ClN4O — CID 63271891

IUPAC2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nnc(Cl)c(C)c1C
InChIInChI=1S/C11H17ClN4O/c1-4-5-13-9(17)6-14-11-8(3)7(2)10(12)15-16-11/h4-6H2,1-3H3,(H,13,17)(H,14,16)
InChIKeyLZYNAVXAGXQMIQ-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.68
Rot. Bonds5

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

2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-propylacetamide (PubChem CID 63271891) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-propylacetamide
PubChem CID63271891
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nnc(Cl)c(C)c1C
InChIInChI=1S/C11H17ClN4O/c1-4-5-13-9(17)6-14-11-8(3)7(2)10(12)15-16-11/h4-6H2,1-3H3,(H,13,17)(H,14,16)
InChIKeyLZYNAVXAGXQMIQ-UHFFFAOYSA-N
XLogP1.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-(2-methylpropyl)acetamide
CID 113405696
N-propyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide
CID 102750399
4-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]butanamide
CID 63271549
2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide
CID 63023413
2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propylacetamide
CID 79075450
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide
CID 102756189
2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide
CID 43402545
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-propylacetamide
CID 113420397
2-[(4-cyanopyridazin-3-yl)amino]-N-propylacetamide
CID 80509456
2-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)amino]-N-propylacetamide
CID 104507787
6-chloro-4,5-dimethyl-N-[(E)-pent-3-enyl]pyridazin-3-amine
CID 106195870
2-[(1-chloroisoquinolin-3-yl)amino]-N-propylacetamide
CID 133383027

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-propylacetamide (CID 63271891) is 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-propylacetamide is CCCNC(=O)CNc1nnc(Cl)c(C)c1C.
What is the InChIKey of 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-propylacetamide?
The InChIKey is LZYNAVXAGXQMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-4-5-13-9(17)6-14-11-8(3)7(2)10(12)15-16-11/h4-6H2,1-3H3,(H,13,17)(H,14,16).
What are the key properties of 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-propylacetamide?
2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-propylacetamide has a molecular weight of 256.74 g/mol, XLogP of 1.68, 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-propylacetamide is sourced from PubChem (CID 63271891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).