[4-[(phthalazin-1-ylamino)methyl]phenyl]methanol

C16H15N3O — CID 107232258

IUPAC[4-[(phthalazin-1-ylamino)methyl]phenyl]methanol
SMILESOCc1ccc(CNc2nncc3ccccc23)cc1
InChIInChI=1S/C16H15N3O/c20-11-13-7-5-12(6-8-13)9-17-16-15-4-2-1-3-14(15)10-18-19-16/h1-8,10,20H,9,11H2,(H,17,19)
InChIKeyGSZGSQXRTCXXIY-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.73
Rot. Bonds4

About [4-[(phthalazin-1-ylamino)methyl]phenyl]methanol

[4-[(phthalazin-1-ylamino)methyl]phenyl]methanol (PubChem CID 107232258) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is [4-[(phthalazin-1-ylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(phthalazin-1-ylamino)methyl]phenyl]methanol
PubChem CID107232258
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name[4-[(phthalazin-1-ylamino)methyl]phenyl]methanol
SMILESOCc1ccc(CNc2nncc3ccccc23)cc1
InChIInChI=1S/C16H15N3O/c20-11-13-7-5-12(6-8-13)9-17-16-15-4-2-1-3-14(15)10-18-19-16/h1-8,10,20H,9,11H2,(H,17,19)
InChIKeyGSZGSQXRTCXXIY-UHFFFAOYSA-N
XLogP2.73
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(phthalazin-1-ylamino)methyl]phenyl]methanol?
The IUPAC name of [4-[(phthalazin-1-ylamino)methyl]phenyl]methanol (CID 107232258) is [4-[(phthalazin-1-ylamino)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(phthalazin-1-ylamino)methyl]phenyl]methanol?
The canonical SMILES for [4-[(phthalazin-1-ylamino)methyl]phenyl]methanol is OCc1ccc(CNc2nncc3ccccc23)cc1.
What is the InChIKey of [4-[(phthalazin-1-ylamino)methyl]phenyl]methanol?
The InChIKey is GSZGSQXRTCXXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c20-11-13-7-5-12(6-8-13)9-17-16-15-4-2-1-3-14(15)10-18-19-16/h1-8,10,20H,9,11H2,(H,17,19).
What are the key properties of [4-[(phthalazin-1-ylamino)methyl]phenyl]methanol?
[4-[(phthalazin-1-ylamino)methyl]phenyl]methanol has a molecular weight of 265.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(phthalazin-1-ylamino)methyl]phenyl]methanol is sourced from PubChem (CID 107232258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).