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

C13H15ClN4 — CID 55091065

IUPAC3-[(2-chlorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1NCCn2c(Cc3ccccc3Cl)nnc21
InChIInChI=1S/C13H15ClN4/c1-9-13-17-16-12(18(13)7-6-15-9)8-10-4-2-3-5-11(10)14/h2-5,9,15H,6-8H2,1H3
InChIKeyOGBQXXBJOHJGBX-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.19
Rot. Bonds2

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

3-[(2-chlorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 55091065) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID55091065
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name3-[(2-chlorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1NCCn2c(Cc3ccccc3Cl)nnc21
InChIInChI=1S/C13H15ClN4/c1-9-13-17-16-12(18(13)7-6-15-9)8-10-4-2-3-5-11(10)14/h2-5,9,15H,6-8H2,1H3
InChIKeyOGBQXXBJOHJGBX-UHFFFAOYSA-N
XLogP2.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 55091065) is 3-[(2-chlorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC1NCCn2c(Cc3ccccc3Cl)nnc21.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is OGBQXXBJOHJGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-9-13-17-16-12(18(13)7-6-15-9)8-10-4-2-3-5-11(10)14/h2-5,9,15H,6-8H2,1H3.
What are the key properties of 3-[(2-chlorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-[(2-chlorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 262.74 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 55091065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).