5-[2-aminoethyl(methyl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one

C10H17ClN4O — CID 114444670

IUPAC5-[2-aminoethyl(methyl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1ncc(N(C)CCN)c(Cl)c1=O
InChIInChI=1S/C10H17ClN4O/c1-7(2)15-10(16)9(11)8(6-13-15)14(3)5-4-12/h6-7H,4-5,12H2,1-3H3
InChIKeyWEEXVKBYTZBIML-UHFFFAOYSA-N
MW244.73 g/mol
LogP0.87
Rot. Bonds4

About 5-[2-aminoethyl(methyl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one

5-[2-aminoethyl(methyl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one (PubChem CID 114444670) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 5-[2-aminoethyl(methyl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name5-[2-aminoethyl(methyl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one
PubChem CID114444670
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name5-[2-aminoethyl(methyl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1ncc(N(C)CCN)c(Cl)c1=O
InChIInChI=1S/C10H17ClN4O/c1-7(2)15-10(16)9(11)8(6-13-15)14(3)5-4-12/h6-7H,4-5,12H2,1-3H3
InChIKeyWEEXVKBYTZBIML-UHFFFAOYSA-N
XLogP0.87
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-amino-2,2-dimethylpropyl)-methylamino]-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114446320
5-[2-aminoethyl(methyl)amino]-4-chloro-2-propylpyridazin-3-one
CID 114444669
5-[2-aminoethyl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 114444666
methyl 2-[4-[3-aminopropyl(methyl)amino]-5-chloro-6-oxopyridazin-1-yl]acetate
CID 114447027
5-[(2-amino-2-ethylbutyl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114446774
5-[[(E)-4-aminobut-2-enyl]amino]-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114447233
5-[(1-amino-4-methylpentan-2-yl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114445270
4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one
CID 133381459
4-chloro-5-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-ylpyridazin-3-one
CID 106619175
4-chloro-5-(2-methylpropylamino)-2-propan-2-ylpyridazin-3-one
CID 114431553
5-(butylamino)-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114432150
4,5-dichloro-2-[1-(dimethylamino)ethyl]pyridazin-3-one
CID 19817595

Frequently Asked Questions

What is the IUPAC name of 5-[2-aminoethyl(methyl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 5-[2-aminoethyl(methyl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one (CID 114444670) is 5-[2-aminoethyl(methyl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 5-[2-aminoethyl(methyl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 5-[2-aminoethyl(methyl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one is CC(C)n1ncc(N(C)CCN)c(Cl)c1=O.
What is the InChIKey of 5-[2-aminoethyl(methyl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one?
The InChIKey is WEEXVKBYTZBIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-7(2)15-10(16)9(11)8(6-13-15)14(3)5-4-12/h6-7H,4-5,12H2,1-3H3.
What are the key properties of 5-[2-aminoethyl(methyl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one?
5-[2-aminoethyl(methyl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one has a molecular weight of 244.73 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-aminoethyl(methyl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 114444670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).