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

C12H21N5 — CID 64680170

IUPAC1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclopentan-1-amine
SMILESNC1(CCN2CCn3cnnc3C2)CCCC1
InChIInChI=1S/C12H21N5/c13-12(3-1-2-4-12)5-6-16-7-8-17-10-14-15-11(17)9-16/h10H,1-9,13H2
InChIKeyMTUVFMHESKILTP-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.76
Rot. Bonds3

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

1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclopentan-1-amine (PubChem CID 64680170) 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]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclopentan-1-amine
PubChem CID64680170
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclopentan-1-amine
SMILESNC1(CCN2CCn3cnnc3C2)CCCC1
InChIInChI=1S/C12H21N5/c13-12(3-1-2-4-12)5-6-16-7-8-17-10-14-15-11(17)9-16/h10H,1-9,13H2
InChIKeyMTUVFMHESKILTP-UHFFFAOYSA-N
XLogP0.76
TPSA59.97 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 ≤ 50.76
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]cyclopentan-1-amine?
The IUPAC name of 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclopentan-1-amine (CID 64680170) is 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclopentan-1-amine is NC1(CCN2CCn3cnnc3C2)CCCC1.
What is the InChIKey of 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclopentan-1-amine?
The InChIKey is MTUVFMHESKILTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c13-12(3-1-2-4-12)5-6-16-7-8-17-10-14-15-11(17)9-16/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]cyclopentan-1-amine?
1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclopentan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 0.76, 3 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]cyclopentan-1-amine is sourced from PubChem (CID 64680170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).