[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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Related Compounds

5-[(3-chlorophenyl)methylamino]pyrazine-2-carbonitrile
CID 63658175
2-N-[(3-chlorophenyl)methyl]pyridine-2,5-diamine
CID 62538240
[3-[[(5-amino-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231693
(2S)-2-amino-3-[4-[5-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-yl]phenyl]propan-1-ol
CID 24894879
5-(2-aminocyclopropyl)-N-[(3-chlorophenyl)methyl]pyridin-2-amine;hydrochloride
CID 66980585
[3-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol
CID 114476788
[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 106197039
[4-chloro-6-[(5-phenylpyrazin-2-yl)methylamino]-2-pyridinyl]methanol
CID 167945323
N-(2,5-dichlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280476
4-N-[(3-chlorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64829885
[3-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231800
[3-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 114836485

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).