(S)-[1-(aminomethyl)-3-methylcyclobutyl]-pyrazin-2-ylmethanol

C11H17N3O — CID 97035352

IUPAC(S)-[1-(aminomethyl)-3-methylcyclobutyl]-pyrazin-2-ylmethanol
SMILESCC1CC(CN)([C@H](O)c2cnccn2)C1
InChIInChI=1S/C11H17N3O/c1-8-4-11(5-8,7-12)10(15)9-6-13-2-3-14-9/h2-3,6,8,10,15H,4-5,7,12H2,1H3/t8?,10-,11?/m1/s1
InChIKeyXCQCBFRFOURKQJ-LDGBHUKOSA-N
MW207.28 g/mol
LogP0.88
Rot. Bonds3

About (S)-[1-(aminomethyl)-3-methylcyclobutyl]-pyrazin-2-ylmethanol

(S)-[1-(aminomethyl)-3-methylcyclobutyl]-pyrazin-2-ylmethanol (PubChem CID 97035352) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (S)-[1-(aminomethyl)-3-methylcyclobutyl]-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name(S)-[1-(aminomethyl)-3-methylcyclobutyl]-pyrazin-2-ylmethanol
PubChem CID97035352
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(S)-[1-(aminomethyl)-3-methylcyclobutyl]-pyrazin-2-ylmethanol
SMILESCC1CC(CN)([C@H](O)c2cnccn2)C1
InChIInChI=1S/C11H17N3O/c1-8-4-11(5-8,7-12)10(15)9-6-13-2-3-14-9/h2-3,6,8,10,15H,4-5,7,12H2,1H3/t8?,10-,11?/m1/s1
InChIKeyXCQCBFRFOURKQJ-LDGBHUKOSA-N
XLogP0.88
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (S)-[1-(aminomethyl)-3-methylcyclobutyl]-pyrazin-2-ylmethanol?
The IUPAC name of (S)-[1-(aminomethyl)-3-methylcyclobutyl]-pyrazin-2-ylmethanol (CID 97035352) is (S)-[1-(aminomethyl)-3-methylcyclobutyl]-pyrazin-2-ylmethanol.
What is the SMILES notation for (S)-[1-(aminomethyl)-3-methylcyclobutyl]-pyrazin-2-ylmethanol?
The canonical SMILES for (S)-[1-(aminomethyl)-3-methylcyclobutyl]-pyrazin-2-ylmethanol is CC1CC(CN)([C@H](O)c2cnccn2)C1.
What is the InChIKey of (S)-[1-(aminomethyl)-3-methylcyclobutyl]-pyrazin-2-ylmethanol?
The InChIKey is XCQCBFRFOURKQJ-LDGBHUKOSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-4-11(5-8,7-12)10(15)9-6-13-2-3-14-9/h2-3,6,8,10,15H,4-5,7,12H2,1H3/t8?,10-,11?/m1/s1.
What are the key properties of (S)-[1-(aminomethyl)-3-methylcyclobutyl]-pyrazin-2-ylmethanol?
(S)-[1-(aminomethyl)-3-methylcyclobutyl]-pyrazin-2-ylmethanol has a molecular weight of 207.28 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[1-(aminomethyl)-3-methylcyclobutyl]-pyrazin-2-ylmethanol is sourced from PubChem (CID 97035352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).