[(1S,2S)-2-(6-methylpyridazin-3-yl)cyclopropyl]methanol

C9H12N2O — CID 89417332

IUPAC[(1S,2S)-2-(6-methylpyridazin-3-yl)cyclopropyl]methanol
SMILESCc1ccc([C@H]2C[C@@H]2CO)nn1
InChIInChI=1S/C9H12N2O/c1-6-2-3-9(11-10-6)8-4-7(8)5-12/h2-3,7-8,12H,4-5H2,1H3/t7-,8+/m1/s1
InChIKeyHBWOQCAXXCMHRV-SFYZADRCSA-N
MW164.21 g/mol
LogP0.88
Rot. Bonds2

About [(1S,2S)-2-(6-methylpyridazin-3-yl)cyclopropyl]methanol

[(1S,2S)-2-(6-methylpyridazin-3-yl)cyclopropyl]methanol (PubChem CID 89417332) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is [(1S,2S)-2-(6-methylpyridazin-3-yl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2S)-2-(6-methylpyridazin-3-yl)cyclopropyl]methanol
PubChem CID89417332
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name[(1S,2S)-2-(6-methylpyridazin-3-yl)cyclopropyl]methanol
SMILESCc1ccc([C@H]2C[C@@H]2CO)nn1
InChIInChI=1S/C9H12N2O/c1-6-2-3-9(11-10-6)8-4-7(8)5-12/h2-3,7-8,12H,4-5H2,1H3/t7-,8+/m1/s1
InChIKeyHBWOQCAXXCMHRV-SFYZADRCSA-N
XLogP0.88
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(6-methylpyridazin-3-yl)cyclopropyl]methanol?
The IUPAC name of [(1S,2S)-2-(6-methylpyridazin-3-yl)cyclopropyl]methanol (CID 89417332) is [(1S,2S)-2-(6-methylpyridazin-3-yl)cyclopropyl]methanol.
What is the SMILES notation for [(1S,2S)-2-(6-methylpyridazin-3-yl)cyclopropyl]methanol?
The canonical SMILES for [(1S,2S)-2-(6-methylpyridazin-3-yl)cyclopropyl]methanol is Cc1ccc([C@H]2C[C@@H]2CO)nn1.
What is the InChIKey of [(1S,2S)-2-(6-methylpyridazin-3-yl)cyclopropyl]methanol?
The InChIKey is HBWOQCAXXCMHRV-SFYZADRCSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-2-3-9(11-10-6)8-4-7(8)5-12/h2-3,7-8,12H,4-5H2,1H3/t7-,8+/m1/s1.
What are the key properties of [(1S,2S)-2-(6-methylpyridazin-3-yl)cyclopropyl]methanol?
[(1S,2S)-2-(6-methylpyridazin-3-yl)cyclopropyl]methanol has a molecular weight of 164.21 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(6-methylpyridazin-3-yl)cyclopropyl]methanol is sourced from PubChem (CID 89417332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).