2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C13H19N5O — CID 66271990

IUPAC2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CCCNC2CCCC2)nc2cnccn12
InChIInChI=1S/C13H19N5O/c19-13-17-9-7-14-10-12(17)16-18(13)8-3-6-15-11-4-1-2-5-11/h7,9-11,15H,1-6,8H2
InChIKeyYZGGRCNFQMAKLU-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.81
Rot. Bonds5

About 2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66271990) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66271990
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CCCNC2CCCC2)nc2cnccn12
InChIInChI=1S/C13H19N5O/c19-13-17-9-7-14-10-12(17)16-18(13)8-3-6-15-11-4-1-2-5-11/h7,9-11,15H,1-6,8H2
InChIKeyYZGGRCNFQMAKLU-UHFFFAOYSA-N
XLogP0.81
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(Cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62562115
2-[4-(Methylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271110
2-[5-(Propylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271111
2-[5-(Ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271112
2-[4-(Propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271113
2-[3-(Methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271114
2-[2-(Methylamino)butyl][1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
CID 66271115
2-[2-Cyclopropyl-2-(ethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271321
2-[2-(Cyclohexylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271346
2-[4-(Ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271347
2-[4-(2-Methylpropylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271348
2-[3-(Tert-butylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271538

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66271990) is 2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1n(CCCNC2CCCC2)nc2cnccn12.
What is the InChIKey of 2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is YZGGRCNFQMAKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c19-13-17-9-7-14-10-12(17)16-18(13)8-3-6-15-11-4-1-2-5-11/h7,9-11,15H,1-6,8H2.
What are the key properties of 2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 261.33 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66271990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).