5-chloro-4-[[(3S)-1-phenylpyrrolidin-3-yl]amino]-1H-pyridazin-6-one

C14H15ClN4O — CID 97209139

IUPAC5-chloro-4-[[(3S)-1-phenylpyrrolidin-3-yl]amino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N[C@H]2CCN(c3ccccc3)C2)c1Cl
InChIInChI=1S/C14H15ClN4O/c15-13-12(8-16-18-14(13)20)17-10-6-7-19(9-10)11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H2,17,18,20)/t10-/m0/s1
InChIKeyWRWSSMGJSBVNAT-JTQLQIEISA-N
MW290.75 g/mol
LogP2.11
Rot. Bonds3

About 5-chloro-4-[[(3S)-1-phenylpyrrolidin-3-yl]amino]-1H-pyridazin-6-one

5-chloro-4-[[(3S)-1-phenylpyrrolidin-3-yl]amino]-1H-pyridazin-6-one (PubChem CID 97209139) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 5-chloro-4-[[(3S)-1-phenylpyrrolidin-3-yl]amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[(3S)-1-phenylpyrrolidin-3-yl]amino]-1H-pyridazin-6-one
PubChem CID97209139
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name5-chloro-4-[[(3S)-1-phenylpyrrolidin-3-yl]amino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N[C@H]2CCN(c3ccccc3)C2)c1Cl
InChIInChI=1S/C14H15ClN4O/c15-13-12(8-16-18-14(13)20)17-10-6-7-19(9-10)11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H2,17,18,20)/t10-/m0/s1
InChIKeyWRWSSMGJSBVNAT-JTQLQIEISA-N
XLogP2.11
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[(3S)-1-phenylpyrrolidin-3-yl]amino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[[(3S)-1-phenylpyrrolidin-3-yl]amino]-1H-pyridazin-6-one (CID 97209139) is 5-chloro-4-[[(3S)-1-phenylpyrrolidin-3-yl]amino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[[(3S)-1-phenylpyrrolidin-3-yl]amino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[[(3S)-1-phenylpyrrolidin-3-yl]amino]-1H-pyridazin-6-one is O=c1[nH]ncc(N[C@H]2CCN(c3ccccc3)C2)c1Cl.
What is the InChIKey of 5-chloro-4-[[(3S)-1-phenylpyrrolidin-3-yl]amino]-1H-pyridazin-6-one?
The InChIKey is WRWSSMGJSBVNAT-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15ClN4O/c15-13-12(8-16-18-14(13)20)17-10-6-7-19(9-10)11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H2,17,18,20)/t10-/m0/s1.
What are the key properties of 5-chloro-4-[[(3S)-1-phenylpyrrolidin-3-yl]amino]-1H-pyridazin-6-one?
5-chloro-4-[[(3S)-1-phenylpyrrolidin-3-yl]amino]-1H-pyridazin-6-one has a molecular weight of 290.75 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[(3S)-1-phenylpyrrolidin-3-yl]amino]-1H-pyridazin-6-one is sourced from PubChem (CID 97209139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).