2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylcyclopentan-1-amine

C12H21N5 — CID 64574792

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1N1CCn2cnnc2C1
InChIInChI=1S/C12H21N5/c1-2-13-10-4-3-5-11(10)16-6-7-17-9-14-15-12(17)8-16/h9-11,13H,2-8H2,1H3
InChIKeyVXDZISUPWICXCI-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.62
Rot. Bonds3

About 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylcyclopentan-1-amine

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylcyclopentan-1-amine (PubChem CID 64574792) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylcyclopentan-1-amine
PubChem CID64574792
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1N1CCn2cnnc2C1
InChIInChI=1S/C12H21N5/c1-2-13-10-4-3-5-11(10)16-6-7-17-9-14-15-12(17)8-16/h9-11,13H,2-8H2,1H3
InChIKeyVXDZISUPWICXCI-UHFFFAOYSA-N
XLogP0.62
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylcyclopentan-1-amine?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylcyclopentan-1-amine (CID 64574792) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylcyclopentan-1-amine?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylcyclopentan-1-amine is CCNC1CCCC1N1CCn2cnnc2C1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylcyclopentan-1-amine?
The InChIKey is VXDZISUPWICXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-2-13-10-4-3-5-11(10)16-6-7-17-9-14-15-12(17)8-16/h9-11,13H,2-8H2,1H3.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylcyclopentan-1-amine?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylcyclopentan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 64574792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).