3-[[6-[6-(3-chloroanilino)pyrazin-2-yl]pyrazin-2-yl]amino]propan-1-ol

C17H17ClN6O — CID 5330401

IUPAC3-[[6-[6-(3-chloroanilino)pyrazin-2-yl]pyrazin-2-yl]amino]propan-1-ol
SMILESOCCCNc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)n1
InChIInChI=1S/C17H17ClN6O/c18-12-3-1-4-13(7-12)22-17-11-20-9-15(24-17)14-8-19-10-16(23-14)21-5-2-6-25/h1,3-4,7-11,25H,2,5-6H2,(H,21,23)(H,22,24)
InChIKeyFNULWBLUSGQXMP-UHFFFAOYSA-N
MW356.82 g/mol
LogP3.12
Rot. Bonds7

About 3-[[6-[6-(3-chloroanilino)pyrazin-2-yl]pyrazin-2-yl]amino]propan-1-ol

3-[[6-[6-(3-chloroanilino)pyrazin-2-yl]pyrazin-2-yl]amino]propan-1-ol (PubChem CID 5330401) has the molecular formula C17H17ClN6O and a molecular weight of 356.82 g/mol. Its IUPAC name is 3-[[6-[6-(3-chloroanilino)pyrazin-2-yl]pyrazin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[6-[6-(3-chloroanilino)pyrazin-2-yl]pyrazin-2-yl]amino]propan-1-ol
PubChem CID5330401
Molecular FormulaC17H17ClN6O
Molecular Weight356.82 g/mol
Exact Mass356.12
IUPAC Name3-[[6-[6-(3-chloroanilino)pyrazin-2-yl]pyrazin-2-yl]amino]propan-1-ol
SMILESOCCCNc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)n1
InChIInChI=1S/C17H17ClN6O/c18-12-3-1-4-13(7-12)22-17-11-20-9-15(24-17)14-8-19-10-16(23-14)21-5-2-6-25/h1,3-4,7-11,25H,2,5-6H2,(H,21,23)(H,22,24)
InChIKeyFNULWBLUSGQXMP-UHFFFAOYSA-N
XLogP3.12
TPSA95.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.82
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Cgp-60474
CID 644215
Pyrazine-Pyridine Biheteroaryl 11
CID 5330359
Pyrazine-Pyridine Biheteroaryl 20
CID 5330362
Pyrazine-Pyridine Biheteroaryl 24
CID 5330363
Pyrazine-Pyridine Biheteroaryl 38
CID 5330368
Pyrazine-Pyridine Biheteroaryl 40
CID 5330369
Pyrazine-Pyridine Biheteroaryl 44
CID 5330372
Pyrazine-Pyridine Biheteroaryl 45
CID 5330373
Pyrazine-Pyridine Biheteroaryl 46
CID 5330374
Pyrazine-Pyridine Biheteroaryl 50
CID 5330378
Pyrazine-Pyridine Biheteroaryl 52
CID 5330380
Pyrazine-Pyridine Biheteroaryl 53
CID 5330381

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[6-(3-chloroanilino)pyrazin-2-yl]pyrazin-2-yl]amino]propan-1-ol?
The IUPAC name of 3-[[6-[6-(3-chloroanilino)pyrazin-2-yl]pyrazin-2-yl]amino]propan-1-ol (CID 5330401) is 3-[[6-[6-(3-chloroanilino)pyrazin-2-yl]pyrazin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[6-[6-(3-chloroanilino)pyrazin-2-yl]pyrazin-2-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[6-[6-(3-chloroanilino)pyrazin-2-yl]pyrazin-2-yl]amino]propan-1-ol is OCCCNc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)n1.
What is the InChIKey of 3-[[6-[6-(3-chloroanilino)pyrazin-2-yl]pyrazin-2-yl]amino]propan-1-ol?
The InChIKey is FNULWBLUSGQXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O/c18-12-3-1-4-13(7-12)22-17-11-20-9-15(24-17)14-8-19-10-16(23-14)21-5-2-6-25/h1,3-4,7-11,25H,2,5-6H2,(H,21,23)(H,22,24).
What are the key properties of 3-[[6-[6-(3-chloroanilino)pyrazin-2-yl]pyrazin-2-yl]amino]propan-1-ol?
3-[[6-[6-(3-chloroanilino)pyrazin-2-yl]pyrazin-2-yl]amino]propan-1-ol has a molecular weight of 356.82 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[6-(3-chloroanilino)pyrazin-2-yl]pyrazin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 5330401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).