[4-[5-[(3-chlorophenyl)methylamino]pyrazin-2-yl]phenyl]methanol

C18H16ClN3O — CID 71424011

IUPAC[4-[5-[(3-chlorophenyl)methylamino]pyrazin-2-yl]phenyl]methanol
SMILESOCc1ccc(-c2cnc(NCc3cccc(Cl)c3)cn2)cc1
InChIInChI=1S/C18H16ClN3O/c19-16-3-1-2-14(8-16)9-21-18-11-20-17(10-22-18)15-6-4-13(12-23)5-7-15/h1-8,10-11,23H,9,12H2,(H,21,22)
InChIKeyULFZZBVLXIPLBI-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.90
Rot. Bonds5

About [4-[5-[(3-chlorophenyl)methylamino]pyrazin-2-yl]phenyl]methanol

[4-[5-[(3-chlorophenyl)methylamino]pyrazin-2-yl]phenyl]methanol (PubChem CID 71424011) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is [4-[5-[(3-chlorophenyl)methylamino]pyrazin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-[(3-chlorophenyl)methylamino]pyrazin-2-yl]phenyl]methanol
PubChem CID71424011
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name[4-[5-[(3-chlorophenyl)methylamino]pyrazin-2-yl]phenyl]methanol
SMILESOCc1ccc(-c2cnc(NCc3cccc(Cl)c3)cn2)cc1
InChIInChI=1S/C18H16ClN3O/c19-16-3-1-2-14(8-16)9-21-18-11-20-17(10-22-18)15-6-4-13(12-23)5-7-15/h1-8,10-11,23H,9,12H2,(H,21,22)
InChIKeyULFZZBVLXIPLBI-UHFFFAOYSA-N
XLogP3.90
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[(3-chlorophenyl)methylamino]pyrazin-2-yl]phenyl]methanol?
The IUPAC name of [4-[5-[(3-chlorophenyl)methylamino]pyrazin-2-yl]phenyl]methanol (CID 71424011) is [4-[5-[(3-chlorophenyl)methylamino]pyrazin-2-yl]phenyl]methanol.
What is the SMILES notation for [4-[5-[(3-chlorophenyl)methylamino]pyrazin-2-yl]phenyl]methanol?
The canonical SMILES for [4-[5-[(3-chlorophenyl)methylamino]pyrazin-2-yl]phenyl]methanol is OCc1ccc(-c2cnc(NCc3cccc(Cl)c3)cn2)cc1.
What is the InChIKey of [4-[5-[(3-chlorophenyl)methylamino]pyrazin-2-yl]phenyl]methanol?
The InChIKey is ULFZZBVLXIPLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-16-3-1-2-14(8-16)9-21-18-11-20-17(10-22-18)15-6-4-13(12-23)5-7-15/h1-8,10-11,23H,9,12H2,(H,21,22).
What are the key properties of [4-[5-[(3-chlorophenyl)methylamino]pyrazin-2-yl]phenyl]methanol?
[4-[5-[(3-chlorophenyl)methylamino]pyrazin-2-yl]phenyl]methanol has a molecular weight of 325.80 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(3-chlorophenyl)methylamino]pyrazin-2-yl]phenyl]methanol is sourced from PubChem (CID 71424011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).