4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butan-1-ol

C23H27N3O — CID 18452655

IUPAC4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butan-1-ol
SMILESCC(C)N(CCCCO)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C23H27N3O/c1-18(2)26(15-9-10-16-27)21-17-24-22(19-11-5-3-6-12-19)23(25-21)20-13-7-4-8-14-20/h3-8,11-14,17-18,27H,9-10,15-16H2,1-2H3
InChIKeyPKBSUZWFQXNCSI-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.80
Rot. Bonds8

About 4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butan-1-ol

4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butan-1-ol (PubChem CID 18452655) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butan-1-ol.

Molecular Properties

Compound Name4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butan-1-ol
PubChem CID18452655
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butan-1-ol
SMILESCC(C)N(CCCCO)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C23H27N3O/c1-18(2)26(15-9-10-16-27)21-17-24-22(19-11-5-3-6-12-19)23(25-21)20-13-7-4-8-14-20/h3-8,11-14,17-18,27H,9-10,15-16H2,1-2H3
InChIKeyPKBSUZWFQXNCSI-UHFFFAOYSA-N
XLogP4.80
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butan-1-ol?
The IUPAC name of 4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butan-1-ol (CID 18452655) is 4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butan-1-ol.
What is the SMILES notation for 4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butan-1-ol?
The canonical SMILES for 4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butan-1-ol is CC(C)N(CCCCO)c1cnc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butan-1-ol?
The InChIKey is PKBSUZWFQXNCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-18(2)26(15-9-10-16-27)21-17-24-22(19-11-5-3-6-12-19)23(25-21)20-13-7-4-8-14-20/h3-8,11-14,17-18,27H,9-10,15-16H2,1-2H3.
What are the key properties of 4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butan-1-ol?
4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butan-1-ol has a molecular weight of 361.49 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butan-1-ol is sourced from PubChem (CID 18452655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).