1-[5-bromo-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-ethylethanamine

C15H20BrN5 — CID 82953888

IUPAC1-[5-bromo-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1N1CCn2cnnc2C1
InChIInChI=1S/C15H20BrN5/c1-3-17-11(2)13-8-12(16)4-5-14(13)20-6-7-21-10-18-19-15(21)9-20/h4-5,8,10-11,17H,3,6-7,9H2,1-2H3
InChIKeyJLZDRQCKZYRDLA-UHFFFAOYSA-N
MW350.26 g/mol
LogP2.73
Rot. Bonds4

About 1-[5-bromo-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-ethylethanamine

1-[5-bromo-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-ethylethanamine (PubChem CID 82953888) has the molecular formula C15H20BrN5 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-[5-bromo-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-ethylethanamine
PubChem CID82953888
Molecular FormulaC15H20BrN5
Molecular Weight350.26 g/mol
Exact Mass349.09
IUPAC Name1-[5-bromo-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1N1CCn2cnnc2C1
InChIInChI=1S/C15H20BrN5/c1-3-17-11(2)13-8-12(16)4-5-14(13)20-6-7-21-10-18-19-15(21)9-20/h4-5,8,10-11,17H,3,6-7,9H2,1-2H3
InChIKeyJLZDRQCKZYRDLA-UHFFFAOYSA-N
XLogP2.73
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-N-ethylethanamine
CID 82972475
4-bromo-2-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]phenol
CID 82981094
1-[4-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone
CID 82956165
1-[3-bromo-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-methylethanamine
CID 64577052
1-[5-bromo-2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine
CID 82971422
(1R)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanamine
CID 78996701
1-[5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine
CID 104959026
1-[5-bromo-2-(4-methylazepan-1-yl)phenyl]-N-ethylethanamine
CID 82968313
1-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
CID 102958887
1-[5-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]-N-ethylethanamine
CID 103534496
1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine
CID 82968056
1-[5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]-N-ethylethanamine
CID 114410466

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[5-bromo-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-ethylethanamine (CID 82953888) is 1-[5-bromo-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-bromo-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[5-bromo-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-ethylethanamine is CCNC(C)c1cc(Br)ccc1N1CCn2cnnc2C1.
What is the InChIKey of 1-[5-bromo-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-ethylethanamine?
The InChIKey is JLZDRQCKZYRDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN5/c1-3-17-11(2)13-8-12(16)4-5-14(13)20-6-7-21-10-18-19-15(21)9-20/h4-5,8,10-11,17H,3,6-7,9H2,1-2H3.
What are the key properties of 1-[5-bromo-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-ethylethanamine?
1-[5-bromo-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-ethylethanamine has a molecular weight of 350.26 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 82953888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).