5-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-chloro-2-methylpyridazin-3-one

C11H17ClN4O — CID 114447140

IUPAC5-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-chloro-2-methylpyridazin-3-one
SMILESCC(N)C1CCN(c2cnn(C)c(=O)c2Cl)C1
InChIInChI=1S/C11H17ClN4O/c1-7(13)8-3-4-16(6-8)9-5-14-15(2)11(17)10(9)12/h5,7-8H,3-4,6,13H2,1-2H3
InChIKeyKZAKBGQBSSFHGT-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.61
Rot. Bonds2

About 5-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-chloro-2-methylpyridazin-3-one

5-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-chloro-2-methylpyridazin-3-one (PubChem CID 114447140) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 5-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-chloro-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-chloro-2-methylpyridazin-3-one
PubChem CID114447140
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name5-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-chloro-2-methylpyridazin-3-one
SMILESCC(N)C1CCN(c2cnn(C)c(=O)c2Cl)C1
InChIInChI=1S/C11H17ClN4O/c1-7(13)8-3-4-16(6-8)9-5-14-15(2)11(17)10(9)12/h5,7-8H,3-4,6,13H2,1-2H3
InChIKeyKZAKBGQBSSFHGT-UHFFFAOYSA-N
XLogP0.61
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(1-aminoethyl)piperidin-1-yl]-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114443693
4-chloro-2-methyl-5-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-one
CID 33286693
4-chloro-5-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 129352579
4-chloro-5-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpyridazin-3-one
CID 47281084
5-[3-(1-aminoethyl)piperidin-1-yl]-4-bromo-2-propylpyridazin-3-one
CID 114443644
4-chloro-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 17088020
5-[3-(1-aminoethyl)piperidin-1-yl]-4-bromo-2-ethylpyridazin-3-one
CID 114443647
5-[(3S)-3-anilinopiperidin-1-yl]-4-chloro-2-methylpyridazin-3-one
CID 97226291
methyl 2-[4-[3-(1-aminoethyl)pyrrolidin-1-yl]-5-bromo-6-oxopyridazin-1-yl]acetate
CID 114447156
5-(3-aminopiperidin-1-yl)-4-chloro-2-(2-methylpropyl)pyridazin-3-one
CID 114443792
4-chloro-5-[4-(2-chlorophenoxy)piperidin-1-yl]-2-methylpyridazin-3-one
CID 133390833
4-chloro-5-[3-[1-(methylamino)ethyl]piperidin-1-yl]-2-prop-2-enylpyridazin-3-one
CID 114443666

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-chloro-2-methylpyridazin-3-one?
The IUPAC name of 5-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-chloro-2-methylpyridazin-3-one (CID 114447140) is 5-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-chloro-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-chloro-2-methylpyridazin-3-one?
The canonical SMILES for 5-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-chloro-2-methylpyridazin-3-one is CC(N)C1CCN(c2cnn(C)c(=O)c2Cl)C1.
What is the InChIKey of 5-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-chloro-2-methylpyridazin-3-one?
The InChIKey is KZAKBGQBSSFHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-7(13)8-3-4-16(6-8)9-5-14-15(2)11(17)10(9)12/h5,7-8H,3-4,6,13H2,1-2H3.
What are the key properties of 5-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-chloro-2-methylpyridazin-3-one?
5-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-chloro-2-methylpyridazin-3-one has a molecular weight of 256.74 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-chloro-2-methylpyridazin-3-one is sourced from PubChem (CID 114447140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).