1-(phthalazin-5-ylmethyl)cyclopropan-1-ol

C12H12N2O — CID 117289409

IUPAC1-(phthalazin-5-ylmethyl)cyclopropan-1-ol
SMILESOC1(Cc2cccc3cnncc23)CC1
InChIInChI=1S/C12H12N2O/c15-12(4-5-12)6-9-2-1-3-10-7-13-14-8-11(9)10/h1-3,7-8,15H,4-6H2
InChIKeyNEBMDVLOGNGUOX-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.70
Rot. Bonds2

About 1-(phthalazin-5-ylmethyl)cyclopropan-1-ol

1-(phthalazin-5-ylmethyl)cyclopropan-1-ol (PubChem CID 117289409) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(phthalazin-5-ylmethyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(phthalazin-5-ylmethyl)cyclopropan-1-ol
PubChem CID117289409
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-(phthalazin-5-ylmethyl)cyclopropan-1-ol
SMILESOC1(Cc2cccc3cnncc23)CC1
InChIInChI=1S/C12H12N2O/c15-12(4-5-12)6-9-2-1-3-10-7-13-14-8-11(9)10/h1-3,7-8,15H,4-6H2
InChIKeyNEBMDVLOGNGUOX-UHFFFAOYSA-N
XLogP1.70
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(naphthalen-1-ylmethyl)oxepan-4-ol
CID 65151405
1-[(3-chloro-2-fluorophenyl)methyl]cyclopropan-1-ol
CID 117289578
3-amino-1-(naphthalen-1-ylmethyl)cyclobutan-1-ol
CID 80561260
1-[(3-methyl-1,2-benzoxazol-7-yl)methyl]cyclopropan-1-ol
CID 117291575
1-[(2-methyl-1,3-benzothiazol-7-yl)methyl]cyclopropan-1-ol
CID 117312894
1-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)cyclopropan-1-ol
CID 117291079
3-cyclopropyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-ol
CID 65154003
1-[(isoquinolin-5-ylmethylamino)methyl]cycloheptan-1-ol
CID 65123185
3-(naphthalen-1-ylmethyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171963117
1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-ol
CID 117339844
1-[[2-(triazol-2-yl)phenyl]methyl]cyclopropan-1-ol
CID 117306787
1-[[2-(triazol-1-yl)phenyl]methyl]cyclopropan-1-ol
CID 117306788

Frequently Asked Questions

What is the IUPAC name of 1-(phthalazin-5-ylmethyl)cyclopropan-1-ol?
The IUPAC name of 1-(phthalazin-5-ylmethyl)cyclopropan-1-ol (CID 117289409) is 1-(phthalazin-5-ylmethyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(phthalazin-5-ylmethyl)cyclopropan-1-ol?
The canonical SMILES for 1-(phthalazin-5-ylmethyl)cyclopropan-1-ol is OC1(Cc2cccc3cnncc23)CC1.
What is the InChIKey of 1-(phthalazin-5-ylmethyl)cyclopropan-1-ol?
The InChIKey is NEBMDVLOGNGUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c15-12(4-5-12)6-9-2-1-3-10-7-13-14-8-11(9)10/h1-3,7-8,15H,4-6H2.
What are the key properties of 1-(phthalazin-5-ylmethyl)cyclopropan-1-ol?
1-(phthalazin-5-ylmethyl)cyclopropan-1-ol has a molecular weight of 200.24 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phthalazin-5-ylmethyl)cyclopropan-1-ol is sourced from PubChem (CID 117289409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).