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

C11H11ClN4 — CID 62585723

IUPAC3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1ccc(-c2nnc3n2CCNC3)cc1
InChIInChI=1S/C11H11ClN4/c12-9-3-1-8(2-4-9)11-15-14-10-7-13-5-6-16(10)11/h1-4,13H,5-7H2
InChIKeyYZFSAVBEAKTNOO-UHFFFAOYSA-N
MW234.69 g/mol
LogP1.70
Rot. Bonds1

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

3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 62585723) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID62585723
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1ccc(-c2nnc3n2CCNC3)cc1
InChIInChI=1S/C11H11ClN4/c12-9-3-1-8(2-4-9)11-15-14-10-7-13-5-6-16(10)11/h1-4,13H,5-7H2
InChIKeyYZFSAVBEAKTNOO-UHFFFAOYSA-N
XLogP1.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Sodium 4-benzyl-5-(4-chlorophenyl)-1,2,4-triazole-3-thiolate
CID 23697615
3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 1478277
3-Phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine
CID 1478281
3-(3,4-Dichlorophenyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine
CID 1478284
3-(4-Chlorophenyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine
CID 1487852
4-[(2-Chlorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine
CID 118726301
5-(4-Chlorophenyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
CID 162663264
3-(4-chlorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazine
CID 830506
3-(2,4-Dichlorophenyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 134135148
3-(2-Chlorophenyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 134143127
2-(4-Chlorophenyl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-7-thione
CID 10851152
3-benzyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 46941623

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 62585723) is 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is Clc1ccc(-c2nnc3n2CCNC3)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is YZFSAVBEAKTNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c12-9-3-1-8(2-4-9)11-15-14-10-7-13-5-6-16(10)11/h1-4,13H,5-7H2.
What are the key properties of 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 234.69 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 62585723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).