3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine

C20H23N5 — CID 126441558

IUPAC3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine
SMILESC[C@H](c1cccc(-c2ccc(-c3nccn3C)nn2)c1)N1CCCC1
InChIInChI=1S/C20H23N5/c1-15(25-11-3-4-12-25)16-6-5-7-17(14-16)18-8-9-19(23-22-18)20-21-10-13-24(20)2/h5-10,13-15H,3-4,11-12H2,1-2H3/t15-/m1/s1
InChIKeyLRZKRYGOLLKPDS-OAHLLOKOSA-N
MW333.44 g/mol
LogP3.70
Rot. Bonds4

About 3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine

3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine (PubChem CID 126441558) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine
PubChem CID126441558
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine
SMILESC[C@H](c1cccc(-c2ccc(-c3nccn3C)nn2)c1)N1CCCC1
InChIInChI=1S/C20H23N5/c1-15(25-11-3-4-12-25)16-6-5-7-17(14-16)18-8-9-19(23-22-18)20-21-10-13-24(20)2/h5-10,13-15H,3-4,11-12H2,1-2H3/t15-/m1/s1
InChIKeyLRZKRYGOLLKPDS-OAHLLOKOSA-N
XLogP3.70
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylimidazol-2-yl)-6-[3-(1H-pyrazol-5-yl)phenyl]pyridazine
CID 77084371
N,N-dimethyl-3-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazin-2-amine
CID 95133357
3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine
CID 50959459
2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole
CID 95124127
2-[4-methyl-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenoxy]acetamide
CID 125440907
7-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 99926894
[1-methyl-5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazol-3-yl]methanol
CID 155497871
N,N-dimethyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-2-carboxamide
CID 77092102
4-methoxy-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-2-amine
CID 122560088
4-[[6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine
CID 95123778
2,8-dimethyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 126451324
4-[3-(1-pyrrolidin-1-ylethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 50980934

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine?
The IUPAC name of 3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine (CID 126441558) is 3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine is C[C@H](c1cccc(-c2ccc(-c3nccn3C)nn2)c1)N1CCCC1.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine?
The InChIKey is LRZKRYGOLLKPDS-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N5/c1-15(25-11-3-4-12-25)16-6-5-7-17(14-16)18-8-9-19(23-22-18)20-21-10-13-24(20)2/h5-10,13-15H,3-4,11-12H2,1-2H3/t15-/m1/s1.
What are the key properties of 3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine?
3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine has a molecular weight of 333.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine is sourced from PubChem (CID 126441558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).