3-[3-[(1S)-1-methoxyethyl]phenyl]-6-propan-2-ylpyridazine

C16H20N2O — CID 126446276

IUPAC3-[3-[(1S)-1-methoxyethyl]phenyl]-6-propan-2-ylpyridazine
SMILESCO[C@@H](C)c1cccc(-c2ccc(C(C)C)nn2)c1
InChIInChI=1S/C16H20N2O/c1-11(2)15-8-9-16(18-17-15)14-7-5-6-13(10-14)12(3)19-4/h5-12H,1-4H3/t12-/m0/s1
InChIKeyPAJGCSCCQKMVHN-LBPRGKRZSA-N
MW256.35 g/mol
LogP3.97
Rot. Bonds4

About 3-[3-[(1S)-1-methoxyethyl]phenyl]-6-propan-2-ylpyridazine

3-[3-[(1S)-1-methoxyethyl]phenyl]-6-propan-2-ylpyridazine (PubChem CID 126446276) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[3-[(1S)-1-methoxyethyl]phenyl]-6-propan-2-ylpyridazine.

Molecular Properties

Compound Name3-[3-[(1S)-1-methoxyethyl]phenyl]-6-propan-2-ylpyridazine
PubChem CID126446276
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-[3-[(1S)-1-methoxyethyl]phenyl]-6-propan-2-ylpyridazine
SMILESCO[C@@H](C)c1cccc(-c2ccc(C(C)C)nn2)c1
InChIInChI=1S/C16H20N2O/c1-11(2)15-8-9-16(18-17-15)14-7-5-6-13(10-14)12(3)19-4/h5-12H,1-4H3/t12-/m0/s1
InChIKeyPAJGCSCCQKMVHN-LBPRGKRZSA-N
XLogP3.97
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(1R)-1-methoxyethyl]phenyl]-5-propan-2-yl-1H-1,2,4-triazole
CID 97434250
3-[3-(1-methoxyethyl)phenyl]-N,N-dimethylpyrazin-2-amine
CID 74250142
2-[3-[3-[(1R)-1-methoxyethyl]phenyl]phenyl]-5-methyl-1,3,4-oxadiazole
CID 97437656
3-methoxy-5-[3-(1-methoxyethyl)phenyl]-1H-1,2,4-triazole
CID 121498247
2-[(1R)-1-methoxyethyl]-6-propan-2-ylpyridine
CID 142501240
6-[3-(1-methoxyethyl)phenyl]-2,4-dimethylpyridine-3-carboxylic acid
CID 122571574
4-[3-[(1S)-1-methoxyethyl]phenyl]-2,5-dimethyl-1H-imidazole
CID 126448059
3-(4-bromophenyl)-6-propan-2-ylpyridazine
CID 118454795
1-chloro-3-(1-methoxyethyl)benzene
CID 19931374
4-[3-(1-methoxyethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 74235800
6-[3-[(1R)-1-(dimethylamino)ethyl]phenyl]-N,N-dimethylpyridazin-3-amine
CID 97437078
5-[3-[(1R)-1-methoxyethyl]phenyl]furan-2-carboxamide
CID 126453687

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1S)-1-methoxyethyl]phenyl]-6-propan-2-ylpyridazine?
The IUPAC name of 3-[3-[(1S)-1-methoxyethyl]phenyl]-6-propan-2-ylpyridazine (CID 126446276) is 3-[3-[(1S)-1-methoxyethyl]phenyl]-6-propan-2-ylpyridazine.
What is the SMILES notation for 3-[3-[(1S)-1-methoxyethyl]phenyl]-6-propan-2-ylpyridazine?
The canonical SMILES for 3-[3-[(1S)-1-methoxyethyl]phenyl]-6-propan-2-ylpyridazine is CO[C@@H](C)c1cccc(-c2ccc(C(C)C)nn2)c1.
What is the InChIKey of 3-[3-[(1S)-1-methoxyethyl]phenyl]-6-propan-2-ylpyridazine?
The InChIKey is PAJGCSCCQKMVHN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11(2)15-8-9-16(18-17-15)14-7-5-6-13(10-14)12(3)19-4/h5-12H,1-4H3/t12-/m0/s1.
What are the key properties of 3-[3-[(1S)-1-methoxyethyl]phenyl]-6-propan-2-ylpyridazine?
3-[3-[(1S)-1-methoxyethyl]phenyl]-6-propan-2-ylpyridazine has a molecular weight of 256.35 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1S)-1-methoxyethyl]phenyl]-6-propan-2-ylpyridazine is sourced from PubChem (CID 126446276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).