2-[2-(cyclohexylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C13H19N5O — CID 66271346

IUPAC2-[2-(cyclohexylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CCNC2CCCCC2)nc2cnccn12
InChIInChI=1S/C13H19N5O/c19-13-17-8-6-14-10-12(17)16-18(13)9-7-15-11-4-2-1-3-5-11/h6,8,10-11,15H,1-5,7,9H2
InChIKeyBYWPSTWIBKEQPD-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.81
Rot. Bonds4

About 2-[2-(cyclohexylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[2-(cyclohexylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66271346) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[2-(cyclohexylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[2-(cyclohexylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66271346
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-[2-(cyclohexylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CCNC2CCCCC2)nc2cnccn12
InChIInChI=1S/C13H19N5O/c19-13-17-8-6-14-10-12(17)16-18(13)9-7-15-11-4-2-1-3-5-11/h6,8,10-11,15H,1-5,7,9H2
InChIKeyBYWPSTWIBKEQPD-UHFFFAOYSA-N
XLogP0.81
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[2-(cyclohexylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66271346) is 2-[2-(cyclohexylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[2-(cyclohexylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[2-(cyclohexylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1n(CCNC2CCCCC2)nc2cnccn12.
What is the InChIKey of 2-[2-(cyclohexylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is BYWPSTWIBKEQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c19-13-17-8-6-14-10-12(17)16-18(13)9-7-15-11-4-2-1-3-5-11/h6,8,10-11,15H,1-5,7,9H2.
What are the key properties of 2-[2-(cyclohexylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[2-(cyclohexylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 261.33 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66271346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).