3-(3-bromo-2-pyridinyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C11H12BrN5 — CID 107526142

IUPAC3-(3-bromo-2-pyridinyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1NCCn2c(-c3ncccc3Br)nnc21
InChIInChI=1S/C11H12BrN5/c1-7-10-15-16-11(17(10)6-5-13-7)9-8(12)3-2-4-14-9/h2-4,7,13H,5-6H2,1H3
InChIKeyWOMLLDXNKPAWNY-UHFFFAOYSA-N
MW294.16 g/mol
LogP1.77
Rot. Bonds1

About 3-(3-bromo-2-pyridinyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

3-(3-bromo-2-pyridinyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 107526142) has the molecular formula C11H12BrN5 and a molecular weight of 294.16 g/mol. Its IUPAC name is 3-(3-bromo-2-pyridinyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(3-bromo-2-pyridinyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID107526142
Molecular FormulaC11H12BrN5
Molecular Weight294.16 g/mol
Exact Mass293.03
IUPAC Name3-(3-bromo-2-pyridinyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1NCCn2c(-c3ncccc3Br)nnc21
InChIInChI=1S/C11H12BrN5/c1-7-10-15-16-11(17(10)6-5-13-7)9-8(12)3-2-4-14-9/h2-4,7,13H,5-6H2,1H3
InChIKeyWOMLLDXNKPAWNY-UHFFFAOYSA-N
XLogP1.77
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-pyridinyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(3-bromo-2-pyridinyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 107526142) is 3-(3-bromo-2-pyridinyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(3-bromo-2-pyridinyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(3-bromo-2-pyridinyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC1NCCn2c(-c3ncccc3Br)nnc21.
What is the InChIKey of 3-(3-bromo-2-pyridinyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is WOMLLDXNKPAWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5/c1-7-10-15-16-11(17(10)6-5-13-7)9-8(12)3-2-4-14-9/h2-4,7,13H,5-6H2,1H3.
What are the key properties of 3-(3-bromo-2-pyridinyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(3-bromo-2-pyridinyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 294.16 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-pyridinyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 107526142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).