2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride

C5H8BrClN4 — CID 134500266

IUPAC2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride
SMILESBrc1nc2n(n1)CCNC2.Cl
InChIInChI=1S/C5H7BrN4.ClH/c6-5-8-4-3-7-1-2-10(4)9-5;/h7H,1-3H2;1H
InChIKeyJVHPQNARKJWMQK-UHFFFAOYSA-N
MW239.50 g/mol
LogP0.57
Rot. Bonds

About 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride

2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride (PubChem CID 134500266) has the molecular formula C5H8BrClN4 and a molecular weight of 239.50 g/mol. Its IUPAC name is 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride.

Molecular Properties

Compound Name2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride
PubChem CID134500266
Molecular FormulaC5H8BrClN4
Molecular Weight239.50 g/mol
Exact Mass237.96
IUPAC Name2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride
SMILESBrc1nc2n(n1)CCNC2.Cl
InChIInChI=1S/C5H7BrN4.ClH/c6-5-8-4-3-7-1-2-10(4)9-5;/h7H,1-3H2;1H
InChIKeyJVHPQNARKJWMQK-UHFFFAOYSA-N
XLogP0.57
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.50
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride?
The IUPAC name of 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride (CID 134500266) is 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride.
What is the SMILES notation for 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride?
The canonical SMILES for 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride is Brc1nc2n(n1)CCNC2.Cl.
What is the InChIKey of 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride?
The InChIKey is JVHPQNARKJWMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN4.ClH/c6-5-8-4-3-7-1-2-10(4)9-5;/h7H,1-3H2;1H.
What are the key properties of 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride?
2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride has a molecular weight of 239.50 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride is sourced from PubChem (CID 134500266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).