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

C13H15ClN4 — CID 106863677

IUPAC3-(2-chloro-4-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1ccc(-c2nnc3n2CCNC3C)c(Cl)c1
InChIInChI=1S/C13H15ClN4/c1-8-3-4-10(11(14)7-8)13-17-16-12-9(2)15-5-6-18(12)13/h3-4,7,9,15H,5-6H2,1-2H3
InChIKeyCFIWFCOYMDOWCW-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.57
Rot. Bonds1

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

3-(2-chloro-4-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 106863677) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(2-chloro-4-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID106863677
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name3-(2-chloro-4-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1ccc(-c2nnc3n2CCNC3C)c(Cl)c1
InChIInChI=1S/C13H15ClN4/c1-8-3-4-10(11(14)7-8)13-17-16-12-9(2)15-5-6-18(12)13/h3-4,7,9,15H,5-6H2,1-2H3
InChIKeyCFIWFCOYMDOWCW-UHFFFAOYSA-N
XLogP2.57
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(2-chloro-4-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 106863677) is 3-(2-chloro-4-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(2-chloro-4-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(2-chloro-4-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is Cc1ccc(-c2nnc3n2CCNC3C)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is CFIWFCOYMDOWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-8-3-4-10(11(14)7-8)13-17-16-12-9(2)15-5-6-18(12)13/h3-4,7,9,15H,5-6H2,1-2H3.
What are the key properties of 3-(2-chloro-4-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(2-chloro-4-methylphenyl)-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 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 106863677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).