[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclobutyl]methanamine

C11H19N5 — CID 115449085

IUPAC[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclobutyl]methanamine
SMILESNCC1(CN2CCn3cnnc3C2)CCC1
InChIInChI=1S/C11H19N5/c12-7-11(2-1-3-11)8-15-4-5-16-9-13-14-10(16)6-15/h9H,1-8,12H2
InChIKeyGWTPCQYYGWFZTJ-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.22
Rot. Bonds3

About [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclobutyl]methanamine

[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclobutyl]methanamine (PubChem CID 115449085) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclobutyl]methanamine
PubChem CID115449085
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclobutyl]methanamine
SMILESNCC1(CN2CCn3cnnc3C2)CCC1
InChIInChI=1S/C11H19N5/c12-7-11(2-1-3-11)8-15-4-5-16-9-13-14-10(16)6-15/h9H,1-8,12H2
InChIKeyGWTPCQYYGWFZTJ-UHFFFAOYSA-N
XLogP0.22
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclopropyl]methanamine
CID 115453907
[1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclobutyl]methanamine
CID 81170602
[1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclohexyl]methanamine
CID 104678951
2-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclopropyl]-N'-hydroxyethanimidamide
CID 77070723
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexan-1-ol
CID 63587757
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclohexane-1-carbaldehyde
CID 64579821
[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclohexyl]methanamine
CID 55143845
1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]-N-methylmethanamine
CID 64577886
N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-4-yl]methyl]ethanamine
CID 64578471
N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]methyl]propan-1-amine
CID 64580406
1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclopentan-1-amine
CID 64680170
2-[1-(aminomethyl)cyclohexyl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 104678296

Frequently Asked Questions

What is the IUPAC name of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclobutyl]methanamine?
The IUPAC name of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclobutyl]methanamine (CID 115449085) is [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclobutyl]methanamine is NCC1(CN2CCn3cnnc3C2)CCC1.
What is the InChIKey of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclobutyl]methanamine?
The InChIKey is GWTPCQYYGWFZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c12-7-11(2-1-3-11)8-15-4-5-16-9-13-14-10(16)6-15/h9H,1-8,12H2.
What are the key properties of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclobutyl]methanamine?
[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclobutyl]methanamine has a molecular weight of 221.31 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)cyclobutyl]methanamine is sourced from PubChem (CID 115449085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).