2-[5-(propylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C14H23N5O — CID 66271111

IUPAC2-[5-(propylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCCNC(C)CCCCn1nc2cnccn2c1=O
InChIInChI=1S/C14H23N5O/c1-3-7-16-12(2)6-4-5-9-19-14(20)18-10-8-15-11-13(18)17-19/h8,10-12,16H,3-7,9H2,1-2H3
InChIKeyZSTDCCMFWGQAMX-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.45
Rot. Bonds8

About 2-[5-(propylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[5-(propylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66271111) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[5-(propylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[5-(propylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66271111
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-[5-(propylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCCNC(C)CCCCn1nc2cnccn2c1=O
InChIInChI=1S/C14H23N5O/c1-3-7-16-12(2)6-4-5-9-19-14(20)18-10-8-15-11-13(18)17-19/h8,10-12,16H,3-7,9H2,1-2H3
InChIKeyZSTDCCMFWGQAMX-UHFFFAOYSA-N
XLogP1.45
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.45
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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Frequently Asked Questions

What is the IUPAC name of 2-[5-(propylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[5-(propylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66271111) is 2-[5-(propylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[5-(propylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[5-(propylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CCCNC(C)CCCCn1nc2cnccn2c1=O.
What is the InChIKey of 2-[5-(propylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is ZSTDCCMFWGQAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-7-16-12(2)6-4-5-9-19-14(20)18-10-8-15-11-13(18)17-19/h8,10-12,16H,3-7,9H2,1-2H3.
What are the key properties of 2-[5-(propylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[5-(propylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 277.37 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(propylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66271111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).