2-chloro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline

C11H8ClN5 — CID 43479089

IUPAC2-chloro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline
SMILESNc1cc(-c2nnc3cnccn23)ccc1Cl
InChIInChI=1S/C11H8ClN5/c12-8-2-1-7(5-9(8)13)11-16-15-10-6-14-3-4-17(10)11/h1-6H,13H2
InChIKeyYMNOPTLJKSGPSQ-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.03
Rot. Bonds1

About 2-chloro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline

2-chloro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline (PubChem CID 43479089) has the molecular formula C11H8ClN5 and a molecular weight of 245.67 g/mol. Its IUPAC name is 2-chloro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline.

Molecular Properties

Compound Name2-chloro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline
PubChem CID43479089
Molecular FormulaC11H8ClN5
Molecular Weight245.67 g/mol
Exact Mass245.05
IUPAC Name2-chloro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline
SMILESNc1cc(-c2nnc3cnccn23)ccc1Cl
InChIInChI=1S/C11H8ClN5/c12-8-2-1-7(5-9(8)13)11-16-15-10-6-14-3-4-17(10)11/h1-6H,13H2
InChIKeyYMNOPTLJKSGPSQ-UHFFFAOYSA-N
XLogP2.03
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline
CID 43479051
2-fluoro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline
CID 54924540
3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 67251777
2-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]ethanamine
CID 43665678
5-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline
CID 113305042
2-bromo-5-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 107813659
3-(3-bromo-4-chlorophenyl)-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine
CID 114024643
1-phenyl-4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazol-5-amine
CID 43479093
2,6-dichloro-4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 82830427
2-methyl-5-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline
CID 43628629
[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanamine
CID 16770347
3-ethyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 590449

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline?
The IUPAC name of 2-chloro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline (CID 43479089) is 2-chloro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline.
What is the SMILES notation for 2-chloro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline?
The canonical SMILES for 2-chloro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline is Nc1cc(-c2nnc3cnccn23)ccc1Cl.
What is the InChIKey of 2-chloro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline?
The InChIKey is YMNOPTLJKSGPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5/c12-8-2-1-7(5-9(8)13)11-16-15-10-6-14-3-4-17(10)11/h1-6H,13H2.
What are the key properties of 2-chloro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline?
2-chloro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline has a molecular weight of 245.67 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline is sourced from PubChem (CID 43479089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).