8-chloro-N-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

C6H6ClN5 — CID 87059072

IUPAC8-chloro-N-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCNc1nc2c(Cl)nccn2n1
InChIInChI=1S/C6H6ClN5/c1-8-6-10-5-4(7)9-2-3-12(5)11-6/h2-3H,1H3,(H,8,11)
InChIKeyXOOLBZYUTPFJLJ-UHFFFAOYSA-N
MW183.60 g/mol
LogP0.82
Rot. Bonds1

About 8-chloro-N-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

8-chloro-N-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (PubChem CID 87059072) has the molecular formula C6H6ClN5 and a molecular weight of 183.60 g/mol. Its IUPAC name is 8-chloro-N-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.

Molecular Properties

Compound Name8-chloro-N-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
PubChem CID87059072
Molecular FormulaC6H6ClN5
Molecular Weight183.60 g/mol
Exact Mass183.03
IUPAC Name8-chloro-N-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCNc1nc2c(Cl)nccn2n1
InChIInChI=1S/C6H6ClN5/c1-8-6-10-5-4(7)9-2-3-12(5)11-6/h2-3H,1H3,(H,8,11)
InChIKeyXOOLBZYUTPFJLJ-UHFFFAOYSA-N
XLogP0.82
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.60
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The IUPAC name of 8-chloro-N-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (CID 87059072) is 8-chloro-N-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.
What is the SMILES notation for 8-chloro-N-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The canonical SMILES for 8-chloro-N-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is CNc1nc2c(Cl)nccn2n1.
What is the InChIKey of 8-chloro-N-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The InChIKey is XOOLBZYUTPFJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN5/c1-8-6-10-5-4(7)9-2-3-12(5)11-6/h2-3H,1H3,(H,8,11).
What are the key properties of 8-chloro-N-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
8-chloro-N-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine has a molecular weight of 183.60 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 87059072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).