(3S)-1-methyl-3-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]pyrrolidin-2-one

C14H21N5O2 — CID 97061846

IUPAC(3S)-1-methyl-3-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]pyrrolidin-2-one
SMILESCN1CC[C@H](N2CCO[C@H](CNc3cccnn3)C2)C1=O
InChIInChI=1S/C14H21N5O2/c1-18-6-4-12(14(18)20)19-7-8-21-11(10-19)9-15-13-3-2-5-16-17-13/h2-3,5,11-12H,4,6-10H2,1H3,(H,15,17)/t11-,12+/m1/s1
InChIKeyWRMFSXVZSTUINH-NEPJUHHUSA-N
MW291.35 g/mol
LogP-0.18
Rot. Bonds4

About (3S)-1-methyl-3-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]pyrrolidin-2-one

(3S)-1-methyl-3-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]pyrrolidin-2-one (PubChem CID 97061846) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (3S)-1-methyl-3-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-methyl-3-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]pyrrolidin-2-one
PubChem CID97061846
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name(3S)-1-methyl-3-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]pyrrolidin-2-one
SMILESCN1CC[C@H](N2CCO[C@H](CNc3cccnn3)C2)C1=O
InChIInChI=1S/C14H21N5O2/c1-18-6-4-12(14(18)20)19-7-8-21-11(10-19)9-15-13-3-2-5-16-17-13/h2-3,5,11-12H,4,6-10H2,1H3,(H,15,17)/t11-,12+/m1/s1
InChIKeyWRMFSXVZSTUINH-NEPJUHHUSA-N
XLogP-0.18
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-1-methyl-3-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-3-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]pyrrolidin-2-one?
The IUPAC name of (3S)-1-methyl-3-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]pyrrolidin-2-one (CID 97061846) is (3S)-1-methyl-3-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-methyl-3-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]pyrrolidin-2-one?
The canonical SMILES for (3S)-1-methyl-3-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]pyrrolidin-2-one is CN1CC[C@H](N2CCO[C@H](CNc3cccnn3)C2)C1=O.
What is the InChIKey of (3S)-1-methyl-3-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]pyrrolidin-2-one?
The InChIKey is WRMFSXVZSTUINH-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-18-6-4-12(14(18)20)19-7-8-21-11(10-19)9-15-13-3-2-5-16-17-13/h2-3,5,11-12H,4,6-10H2,1H3,(H,15,17)/t11-,12+/m1/s1.
What are the key properties of (3S)-1-methyl-3-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]pyrrolidin-2-one?
(3S)-1-methyl-3-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]pyrrolidin-2-one has a molecular weight of 291.35 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 97061846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).