(2S)-3-cyclobutyl-2-(pyrazin-2-ylamino)propan-1-ol

C11H17N3O — CID 164633756

IUPAC(2S)-3-cyclobutyl-2-(pyrazin-2-ylamino)propan-1-ol
SMILESOC[C@H](CC1CCC1)Nc1cnccn1
InChIInChI=1S/C11H17N3O/c15-8-10(6-9-2-1-3-9)14-11-7-12-4-5-13-11/h4-5,7,9-10,15H,1-3,6,8H2,(H,13,14)/t10-/m0/s1
InChIKeyFBGAAMBMEOMXQI-JTQLQIEISA-N
MW207.28 g/mol
LogP1.44
Rot. Bonds5

About (2S)-3-cyclobutyl-2-(pyrazin-2-ylamino)propan-1-ol

(2S)-3-cyclobutyl-2-(pyrazin-2-ylamino)propan-1-ol (PubChem CID 164633756) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (2S)-3-cyclobutyl-2-(pyrazin-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-3-cyclobutyl-2-(pyrazin-2-ylamino)propan-1-ol
PubChem CID164633756
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(2S)-3-cyclobutyl-2-(pyrazin-2-ylamino)propan-1-ol
SMILESOC[C@H](CC1CCC1)Nc1cnccn1
InChIInChI=1S/C11H17N3O/c15-8-10(6-9-2-1-3-9)14-11-7-12-4-5-13-11/h4-5,7,9-10,15H,1-3,6,8H2,(H,13,14)/t10-/m0/s1
InChIKeyFBGAAMBMEOMXQI-JTQLQIEISA-N
XLogP1.44
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclobutyl-2-(pyrazin-2-ylamino)propan-1-ol?
The IUPAC name of (2S)-3-cyclobutyl-2-(pyrazin-2-ylamino)propan-1-ol (CID 164633756) is (2S)-3-cyclobutyl-2-(pyrazin-2-ylamino)propan-1-ol.
What is the SMILES notation for (2S)-3-cyclobutyl-2-(pyrazin-2-ylamino)propan-1-ol?
The canonical SMILES for (2S)-3-cyclobutyl-2-(pyrazin-2-ylamino)propan-1-ol is OC[C@H](CC1CCC1)Nc1cnccn1.
What is the InChIKey of (2S)-3-cyclobutyl-2-(pyrazin-2-ylamino)propan-1-ol?
The InChIKey is FBGAAMBMEOMXQI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3O/c15-8-10(6-9-2-1-3-9)14-11-7-12-4-5-13-11/h4-5,7,9-10,15H,1-3,6,8H2,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-3-cyclobutyl-2-(pyrazin-2-ylamino)propan-1-ol?
(2S)-3-cyclobutyl-2-(pyrazin-2-ylamino)propan-1-ol has a molecular weight of 207.28 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclobutyl-2-(pyrazin-2-ylamino)propan-1-ol is sourced from PubChem (CID 164633756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).