2-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]ethanamine

C13H13N5 — CID 43665678

IUPAC2-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]ethanamine
SMILESNCCc1ccc(-c2nnc3cnccn23)cc1
InChIInChI=1S/C13H13N5/c14-6-5-10-1-3-11(4-2-10)13-17-16-12-9-15-7-8-18(12)13/h1-4,7-9H,5-6,14H2
InChIKeyCIBJSTMGJAJIIF-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.29
Rot. Bonds3

About 2-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]ethanamine

2-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]ethanamine (PubChem CID 43665678) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]ethanamine
PubChem CID43665678
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name2-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]ethanamine
SMILESNCCc1ccc(-c2nnc3cnccn23)cc1
InChIInChI=1S/C13H13N5/c14-6-5-10-1-3-11(4-2-10)13-17-16-12-9-15-7-8-18(12)13/h1-4,7-9H,5-6,14H2
InChIKeyCIBJSTMGJAJIIF-UHFFFAOYSA-N
XLogP1.29
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline
CID 54924540
4-[2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethyl]aniline
CID 113290443
2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline
CID 43479051
2-chloro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline
CID 43479089
3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 67251777
[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanamine
CID 16770347
6-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)hexan-1-amine
CID 43479092
(3-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
CID 117138334
2-[[4-(2-aminoethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 63303668
2-pyrrolo[1,2-a]pyrazin-6-ylethanamine
CID 82415390
2-[3-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]ethanamine
CID 63795477
3-ethyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 590449

Frequently Asked Questions

What is the IUPAC name of 2-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]ethanamine (CID 43665678) is 2-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]ethanamine is NCCc1ccc(-c2nnc3cnccn23)cc1.
What is the InChIKey of 2-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]ethanamine?
The InChIKey is CIBJSTMGJAJIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c14-6-5-10-1-3-11(4-2-10)13-17-16-12-9-15-7-8-18(12)13/h1-4,7-9H,5-6,14H2.
What are the key properties of 2-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]ethanamine?
2-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]ethanamine has a molecular weight of 239.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]ethanamine is sourced from PubChem (CID 43665678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).