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

C12H21N5 — CID 81170602

IUPAC[1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclobutyl]methanamine
SMILESNCC1(CCN2CCn3cnnc3C2)CCC1
InChIInChI=1S/C12H21N5/c13-9-12(2-1-3-12)4-5-16-6-7-17-10-14-15-11(17)8-16/h10H,1-9,13H2
InChIKeySQGMQDAEMHBFDH-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.61
Rot. Bonds4

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

[1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclobutyl]methanamine (PubChem CID 81170602) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclobutyl]methanamine
PubChem CID81170602
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name[1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclobutyl]methanamine
SMILESNCC1(CCN2CCn3cnnc3C2)CCC1
InChIInChI=1S/C12H21N5/c13-9-12(2-1-3-12)4-5-16-6-7-17-10-14-15-11(17)8-16/h10H,1-9,13H2
InChIKeySQGMQDAEMHBFDH-UHFFFAOYSA-N
XLogP0.61
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclobutyl]methanamine?
The IUPAC name of [1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclobutyl]methanamine (CID 81170602) is [1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclobutyl]methanamine is NCC1(CCN2CCn3cnnc3C2)CCC1.
What is the InChIKey of [1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclobutyl]methanamine?
The InChIKey is SQGMQDAEMHBFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c13-9-12(2-1-3-12)4-5-16-6-7-17-10-14-15-11(17)8-16/h10H,1-9,13H2.
What are the key properties of [1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclobutyl]methanamine?
[1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclobutyl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclobutyl]methanamine is sourced from PubChem (CID 81170602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).