1-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-3-phenoxypropan-2-ol

C19H26N4O2 — CID 56778258

IUPAC1-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-3-phenoxypropan-2-ol
SMILESCN(CC(O)COc1ccccc1)CC1CCCN1c1cccnn1
InChIInChI=1S/C19H26N4O2/c1-22(14-17(24)15-25-18-8-3-2-4-9-18)13-16-7-6-12-23(16)19-10-5-11-20-21-19/h2-5,8-11,16-17,24H,6-7,12-15H2,1H3
InChIKeyDKCBMDHVUWAAEX-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.82
Rot. Bonds8

About 1-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-3-phenoxypropan-2-ol

1-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-3-phenoxypropan-2-ol (PubChem CID 56778258) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-3-phenoxypropan-2-ol
PubChem CID56778258
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-3-phenoxypropan-2-ol
SMILESCN(CC(O)COc1ccccc1)CC1CCCN1c1cccnn1
InChIInChI=1S/C19H26N4O2/c1-22(14-17(24)15-25-18-8-3-2-4-9-18)13-16-7-6-12-23(16)19-10-5-11-20-21-19/h2-5,8-11,16-17,24H,6-7,12-15H2,1H3
InChIKeyDKCBMDHVUWAAEX-UHFFFAOYSA-N
XLogP1.82
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 95610890
(2S)-1-[methyl-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-3-phenoxypropan-2-ol
CID 95334988
N-methyl-2-(4-propoxyphenoxy)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]ethanamine
CID 86894797
(2R)-1-(3-methylphenoxy)-3-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol
CID 95751089
N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 133281245
2-[[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]methyl]pentanedinitrile
CID 56780826
N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine
CID 86894438
N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrazin-2-amine
CID 133281201
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95600239
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56778278
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56778280
N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56781014

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-3-phenoxypropan-2-ol (CID 56778258) is 1-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-3-phenoxypropan-2-ol is CN(CC(O)COc1ccccc1)CC1CCCN1c1cccnn1.
What is the InChIKey of 1-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-3-phenoxypropan-2-ol?
The InChIKey is DKCBMDHVUWAAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22(14-17(24)15-25-18-8-3-2-4-9-18)13-16-7-6-12-23(16)19-10-5-11-20-21-19/h2-5,8-11,16-17,24H,6-7,12-15H2,1H3.
What are the key properties of 1-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-3-phenoxypropan-2-ol?
1-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-3-phenoxypropan-2-ol has a molecular weight of 342.44 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 56778258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).