5-chloro-3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine

C13H11ClN4O — CID 81441689

IUPAC5-chloro-3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1ccccc1Cc1nnc2cncc(Cl)n12
InChIInChI=1S/C13H11ClN4O/c1-19-10-5-3-2-4-9(10)6-12-16-17-13-8-15-7-11(14)18(12)13/h2-5,7-8H,6H2,1H3
InChIKeyFPJSHHVXNFLDTM-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.38
Rot. Bonds3

About 5-chloro-3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine

5-chloro-3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 81441689) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 5-chloro-3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name5-chloro-3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID81441689
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name5-chloro-3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOc1ccccc1Cc1nnc2cncc(Cl)n12
InChIInChI=1S/C13H11ClN4O/c1-19-10-5-3-2-4-9(10)6-12-16-17-13-8-15-7-11(14)18(12)13/h2-5,7-8H,6H2,1H3
InChIKeyFPJSHHVXNFLDTM-UHFFFAOYSA-N
XLogP2.38
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143384
[3-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 105392089
6-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazin-2-amine
CID 54940770
2-[[2-[(2-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzenecarbothioamide
CID 82557961
4-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]butan-1-amine
CID 84758975
6-bromo-3-[(2-methoxyphenyl)methyl]imidazo[1,5-a]pyridine
CID 117139633
5-(chloromethyl)-2-[(2-methoxyphenyl)methyl]pyrimidine
CID 55114023
5-(2-chlorophenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 874813
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 171130164
4-benzyl-3-(2-methoxyphenyl)-5-[(2-phenylphenyl)methyl]-1,2,4-triazole
CID 102243934
3-chloro-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole
CID 63383373
2-[(5-chloro-1-methylimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol
CID 110932185

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 5-chloro-3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 81441689) is 5-chloro-3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 5-chloro-3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 5-chloro-3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine is COc1ccccc1Cc1nnc2cncc(Cl)n12.
What is the InChIKey of 5-chloro-3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is FPJSHHVXNFLDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-19-10-5-3-2-4-9(10)6-12-16-17-13-8-15-7-11(14)18(12)13/h2-5,7-8H,6H2,1H3.
What are the key properties of 5-chloro-3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine?
5-chloro-3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 274.71 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 81441689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).