4-chloro-5-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-2-propan-2-ylpyridazin-3-one

C12H19ClN4O2 — CID 104922053

IUPAC4-chloro-5-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-2-propan-2-ylpyridazin-3-one
SMILESCO[C@H]1CNCC1Nc1cnn(C(C)C)c(=O)c1Cl
InChIInChI=1S/C12H19ClN4O2/c1-7(2)17-12(18)11(13)9(5-15-17)16-8-4-14-6-10(8)19-3/h5,7-8,10,14,16H,4,6H2,1-3H3/t8?,10-/m0/s1
InChIKeyFHEHRMASXLXIFZ-HTLJXXAVSA-N
MW286.76 g/mol
LogP0.88
Rot. Bonds4

About 4-chloro-5-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-2-propan-2-ylpyridazin-3-one

4-chloro-5-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-2-propan-2-ylpyridazin-3-one (PubChem CID 104922053) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-chloro-5-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-2-propan-2-ylpyridazin-3-one
PubChem CID104922053
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name4-chloro-5-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-2-propan-2-ylpyridazin-3-one
SMILESCO[C@H]1CNCC1Nc1cnn(C(C)C)c(=O)c1Cl
InChIInChI=1S/C12H19ClN4O2/c1-7(2)17-12(18)11(13)9(5-15-17)16-8-4-14-6-10(8)19-3/h5,7-8,10,14,16H,4,6H2,1-3H3/t8?,10-/m0/s1
InChIKeyFHEHRMASXLXIFZ-HTLJXXAVSA-N
XLogP0.88
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-chloro-5-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-2-propan-2-ylpyridazin-3-one with MolForge

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Related Compounds

4-chloro-2-(2-methoxyethyl)-5-[[(4S)-4-methoxypyrrolidin-3-yl]amino]pyridazin-3-one
CID 104922040
4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-propan-2-ylpyridazin-3-one
CID 114439128
4-chloro-5-(cyclopent-3-en-1-ylamino)-2-propan-2-ylpyridazin-3-one
CID 114442196
4-chloro-5-(cyclohexylamino)-2-propan-2-ylpyridazin-3-one
CID 114431188
4-chloro-5-[(1-oxothian-4-yl)amino]-2-propan-2-ylpyridazin-3-one
CID 114442369
4-bromo-5-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-2-propylpyridazin-3-one
CID 104922056
4-chloro-5-[(2-methoxycyclopentyl)amino]-2-methylpyridazin-3-one
CID 113256019
4-chloro-2-propan-2-yl-5-(thian-3-ylamino)pyridazin-3-one
CID 114442995
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-chloro-5-(1-cyclopropylbutan-2-ylamino)-2-propan-2-ylpyridazin-3-one
CID 114438367
4-chloro-2-propan-2-yl-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
CID 104973090

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-2-propan-2-ylpyridazin-3-one (CID 104922053) is 4-chloro-5-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-2-propan-2-ylpyridazin-3-one is CO[C@H]1CNCC1Nc1cnn(C(C)C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-2-propan-2-ylpyridazin-3-one?
The InChIKey is FHEHRMASXLXIFZ-HTLJXXAVSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-7(2)17-12(18)11(13)9(5-15-17)16-8-4-14-6-10(8)19-3/h5,7-8,10,14,16H,4,6H2,1-3H3/t8?,10-/m0/s1.
What are the key properties of 4-chloro-5-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-2-propan-2-ylpyridazin-3-one?
4-chloro-5-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-2-propan-2-ylpyridazin-3-one has a molecular weight of 286.76 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 104922053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).