1-(3,6-dimethylpyridazin-4-yl)-3-phenylpropan-1-ol

C15H18N2O — CID 105078600

IUPAC1-(3,6-dimethylpyridazin-4-yl)-3-phenylpropan-1-ol
SMILESCc1cc(C(O)CCc2ccccc2)c(C)nn1
InChIInChI=1S/C15H18N2O/c1-11-10-14(12(2)17-16-11)15(18)9-8-13-6-4-3-5-7-13/h3-7,10,15,18H,8-9H2,1-2H3
InChIKeyBWRBJOOFJLPWRT-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.76
Rot. Bonds4

About 1-(3,6-dimethylpyridazin-4-yl)-3-phenylpropan-1-ol

1-(3,6-dimethylpyridazin-4-yl)-3-phenylpropan-1-ol (PubChem CID 105078600) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-3-phenylpropan-1-ol
PubChem CID105078600
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-3-phenylpropan-1-ol
SMILESCc1cc(C(O)CCc2ccccc2)c(C)nn1
InChIInChI=1S/C15H18N2O/c1-11-10-14(12(2)17-16-11)15(18)9-8-13-6-4-3-5-7-13/h3-7,10,15,18H,8-9H2,1-2H3
InChIKeyBWRBJOOFJLPWRT-UHFFFAOYSA-N
XLogP2.76
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(+/-) 3-alpha-Hydroxybenzylpyridazine
CID 10397539
Phenyl(4-pyridazinyl)methanol
CID 13205669
[3-(6-Methylpyridazin-3-yl)phenyl]methanol
CID 91654733
1-(3,6-Dimethylpyridazin-4-yl)ethanol
CID 11491963
1-Phenyl-1-pyridazin-3-ylethanol
CID 15684261
3,4-Di(4-fluorophenyl)-6-isopropylpyridazin-5-ylmethanol
CID 14461247
3-Pyridazinemethanol, 6-[4-(trifluoromethyl)phenyl]-
CID 21935719
(Z)-3-fluoro-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol
CID 22631235
7-Methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydrocinnolin-5-ol
CID 23086709
3-[3-(Trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-5-ol
CID 23086717
(E)-3-fluoro-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol
CID 69964819
3-Fluoro-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol
CID 69964821

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-3-phenylpropan-1-ol?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-3-phenylpropan-1-ol (CID 105078600) is 1-(3,6-dimethylpyridazin-4-yl)-3-phenylpropan-1-ol.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-3-phenylpropan-1-ol?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-3-phenylpropan-1-ol is Cc1cc(C(O)CCc2ccccc2)c(C)nn1.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-3-phenylpropan-1-ol?
The InChIKey is BWRBJOOFJLPWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-10-14(12(2)17-16-11)15(18)9-8-13-6-4-3-5-7-13/h3-7,10,15,18H,8-9H2,1-2H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-3-phenylpropan-1-ol?
1-(3,6-dimethylpyridazin-4-yl)-3-phenylpropan-1-ol has a molecular weight of 242.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazin-4-yl)-3-phenylpropan-1-ol is sourced from PubChem (CID 105078600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).