[1-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)cyclobutyl]methanamine

C11H15N5 — CID 81161196

IUPAC[1-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)cyclobutyl]methanamine
SMILESNCC1(Cc2nnc3cnccn23)CCC1
InChIInChI=1S/C11H15N5/c12-8-11(2-1-3-11)6-9-14-15-10-7-13-4-5-16(9)10/h4-5,7H,1-3,6,8,12H2
InChIKeyWXAVSVJYLWTJDG-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.80
Rot. Bonds3

About [1-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)cyclobutyl]methanamine

[1-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)cyclobutyl]methanamine (PubChem CID 81161196) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is [1-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)cyclobutyl]methanamine
PubChem CID81161196
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name[1-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)cyclobutyl]methanamine
SMILESNCC1(Cc2nnc3cnccn23)CCC1
InChIInChI=1S/C11H15N5/c12-8-11(2-1-3-11)6-9-14-15-10-7-13-4-5-16(9)10/h4-5,7H,1-3,6,8,12H2
InChIKeyWXAVSVJYLWTJDG-UHFFFAOYSA-N
XLogP0.80
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)cyclobutyl]methanamine?
The IUPAC name of [1-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)cyclobutyl]methanamine (CID 81161196) is [1-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)cyclobutyl]methanamine?
The canonical SMILES for [1-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)cyclobutyl]methanamine is NCC1(Cc2nnc3cnccn23)CCC1.
What is the InChIKey of [1-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)cyclobutyl]methanamine?
The InChIKey is WXAVSVJYLWTJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c12-8-11(2-1-3-11)6-9-14-15-10-7-13-4-5-16(9)10/h4-5,7H,1-3,6,8,12H2.
What are the key properties of [1-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)cyclobutyl]methanamine?
[1-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)cyclobutyl]methanamine has a molecular weight of 217.28 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)cyclobutyl]methanamine is sourced from PubChem (CID 81161196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).