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

C13H21N5O — CID 66271112

IUPAC2-[5-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCNC(C)CCCCn1nc2cnccn2c1=O
InChIInChI=1S/C13H21N5O/c1-3-15-11(2)6-4-5-8-18-13(19)17-9-7-14-10-12(17)16-18/h7,9-11,15H,3-6,8H2,1-2H3
InChIKeyQIWALMDQDKJFEL-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.06
Rot. Bonds7

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

2-[5-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66271112) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[5-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[5-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66271112
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-[5-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCNC(C)CCCCn1nc2cnccn2c1=O
InChIInChI=1S/C13H21N5O/c1-3-15-11(2)6-4-5-8-18-13(19)17-9-7-14-10-12(17)16-18/h7,9-11,15H,3-6,8H2,1-2H3
InChIKeyQIWALMDQDKJFEL-UHFFFAOYSA-N
XLogP1.06
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.06
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-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[5-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66271112) is 2-[5-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[5-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[5-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CCNC(C)CCCCn1nc2cnccn2c1=O.
What is the InChIKey of 2-[5-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is QIWALMDQDKJFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-15-11(2)6-4-5-8-18-13(19)17-9-7-14-10-12(17)16-18/h7,9-11,15H,3-6,8H2,1-2H3.
What are the key properties of 2-[5-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[5-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 263.34 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66271112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).