N-(2-chloroprop-2-enyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C8H8ClN5 — CID 115663441

IUPACN-(2-chloroprop-2-enyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESC=C(Cl)CNc1nccn2cnnc12
InChIInChI=1S/C8H8ClN5/c1-6(9)4-11-7-8-13-12-5-14(8)3-2-10-7/h2-3,5H,1,4H2,(H,10,11)
InChIKeyUQEFEMFTMGYVLK-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.29
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-(2-chloroprop-2-enyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 115663441) has the molecular formula C8H8ClN5 and a molecular weight of 209.64 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID115663441
Molecular FormulaC8H8ClN5
Molecular Weight209.64 g/mol
Exact Mass209.05
IUPAC NameN-(2-chloroprop-2-enyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESC=C(Cl)CNc1nccn2cnnc12
InChIInChI=1S/C8H8ClN5/c1-6(9)4-11-7-8-13-12-5-14(8)3-2-10-7/h2-3,5H,1,4H2,(H,10,11)
InChIKeyUQEFEMFTMGYVLK-UHFFFAOYSA-N
XLogP1.29
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 115663441) is N-(2-chloroprop-2-enyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is C=C(Cl)CNc1nccn2cnnc12.
What is the InChIKey of N-(2-chloroprop-2-enyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is UQEFEMFTMGYVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5/c1-6(9)4-11-7-8-13-12-5-14(8)3-2-10-7/h2-3,5H,1,4H2,(H,10,11).
What are the key properties of N-(2-chloroprop-2-enyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-(2-chloroprop-2-enyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 209.64 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 N-(2-chloroprop-2-enyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 115663441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).