3-[(6-chloropyrazin-2-yl)-cyclobutylamino]propan-1-ol

C11H16ClN3O — CID 102846670

IUPAC3-[(6-chloropyrazin-2-yl)-cyclobutylamino]propan-1-ol
SMILESOCCCN(c1cncc(Cl)n1)C1CCC1
InChIInChI=1S/C11H16ClN3O/c12-10-7-13-8-11(14-10)15(5-2-6-16)9-3-1-4-9/h7-9,16H,1-6H2
InChIKeyGPMRAFHTJUHUKV-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.87
Rot. Bonds5

About 3-[(6-chloropyrazin-2-yl)-cyclobutylamino]propan-1-ol

3-[(6-chloropyrazin-2-yl)-cyclobutylamino]propan-1-ol (PubChem CID 102846670) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-[(6-chloropyrazin-2-yl)-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-chloropyrazin-2-yl)-cyclobutylamino]propan-1-ol
PubChem CID102846670
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name3-[(6-chloropyrazin-2-yl)-cyclobutylamino]propan-1-ol
SMILESOCCCN(c1cncc(Cl)n1)C1CCC1
InChIInChI=1S/C11H16ClN3O/c12-10-7-13-8-11(14-10)15(5-2-6-16)9-3-1-4-9/h7-9,16H,1-6H2
InChIKeyGPMRAFHTJUHUKV-UHFFFAOYSA-N
XLogP1.87
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)pyrazin-2-amine
CID 64522791
3-[cyclobutyl(quinoxalin-2-yl)amino]propan-1-ol
CID 102846714
N-benzyl-6-chloro-N-cyclohexylpyrazin-2-amine
CID 10380151
N-(3-chloropropyl)-N-cyclobutyl-6-methoxypyrazin-2-amine
CID 102871504
3-[cyclobutyl-[5-(methylamino)-3-pyridinyl]amino]propan-1-ol
CID 102875578
3-[cyclobutyl-(5-methyl-2-pyridinyl)amino]propan-1-ol
CID 102846717
2-[cyclohexyl-[6-(methylamino)pyrazin-2-yl]amino]ethanol
CID 80811054
3-[(2-aminopyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875612
6-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carbaldehyde
CID 102863594
3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
CID 102859337
3-[cyclobutyl(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]propan-1-ol
CID 102868709
3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclobutylamino]propan-1-ol
CID 102859672

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloropyrazin-2-yl)-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[(6-chloropyrazin-2-yl)-cyclobutylamino]propan-1-ol (CID 102846670) is 3-[(6-chloropyrazin-2-yl)-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[(6-chloropyrazin-2-yl)-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[(6-chloropyrazin-2-yl)-cyclobutylamino]propan-1-ol is OCCCN(c1cncc(Cl)n1)C1CCC1.
What is the InChIKey of 3-[(6-chloropyrazin-2-yl)-cyclobutylamino]propan-1-ol?
The InChIKey is GPMRAFHTJUHUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-10-7-13-8-11(14-10)15(5-2-6-16)9-3-1-4-9/h7-9,16H,1-6H2.
What are the key properties of 3-[(6-chloropyrazin-2-yl)-cyclobutylamino]propan-1-ol?
3-[(6-chloropyrazin-2-yl)-cyclobutylamino]propan-1-ol has a molecular weight of 241.72 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloropyrazin-2-yl)-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102846670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).