5-(3-chloropyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]benzotriazole

C18H14ClN5O — CID 169108234

IUPAC5-(3-chloropyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]benzotriazole
SMILESCOc1ccc(Cn2nnc3cc(-c4nccnc4Cl)ccc32)cc1
InChIInChI=1S/C18H14ClN5O/c1-25-14-5-2-12(3-6-14)11-24-16-7-4-13(10-15(16)22-23-24)17-18(19)21-9-8-20-17/h2-10H,11H2,1H3
InChIKeyXHENZKBDHAXKLS-UHFFFAOYSA-N
MW351.80 g/mol
LogP3.60
Rot. Bonds4

About 5-(3-chloropyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]benzotriazole

5-(3-chloropyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]benzotriazole (PubChem CID 169108234) has the molecular formula C18H14ClN5O and a molecular weight of 351.80 g/mol. Its IUPAC name is 5-(3-chloropyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]benzotriazole.

Molecular Properties

Compound Name5-(3-chloropyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]benzotriazole
PubChem CID169108234
Molecular FormulaC18H14ClN5O
Molecular Weight351.80 g/mol
Exact Mass351.09
IUPAC Name5-(3-chloropyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]benzotriazole
SMILESCOc1ccc(Cn2nnc3cc(-c4nccnc4Cl)ccc32)cc1
InChIInChI=1S/C18H14ClN5O/c1-25-14-5-2-12(3-6-14)11-24-16-7-4-13(10-15(16)22-23-24)17-18(19)21-9-8-20-17/h2-10H,11H2,1H3
InChIKeyXHENZKBDHAXKLS-UHFFFAOYSA-N
XLogP3.60
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111176
N-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111154
N-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111468
5-methoxy-1-[[4-(sulfinatoamino)phenyl]methyl]benzotriazole;hydrochloride
CID 169099465
1-benzyl-5-chloro-4-(4-methoxyphenyl)triazole
CID 72701213
7-chloro-3-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidine
CID 11558158
N-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111169
1-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53085070
N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111173
1-[(4-chloro-3-methoxyphenyl)methyl]benzotriazole
CID 90392764
5-bromo-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]triazole
CID 166068450
4-[3-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]pyridine-2-carbaldehyde
CID 121460670

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloropyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]benzotriazole?
The IUPAC name of 5-(3-chloropyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]benzotriazole (CID 169108234) is 5-(3-chloropyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]benzotriazole.
What is the SMILES notation for 5-(3-chloropyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]benzotriazole?
The canonical SMILES for 5-(3-chloropyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]benzotriazole is COc1ccc(Cn2nnc3cc(-c4nccnc4Cl)ccc32)cc1.
What is the InChIKey of 5-(3-chloropyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]benzotriazole?
The InChIKey is XHENZKBDHAXKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O/c1-25-14-5-2-12(3-6-14)11-24-16-7-4-13(10-15(16)22-23-24)17-18(19)21-9-8-20-17/h2-10H,11H2,1H3.
What are the key properties of 5-(3-chloropyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]benzotriazole?
5-(3-chloropyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]benzotriazole has a molecular weight of 351.80 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropyrazin-2-yl)-1-[(4-methoxyphenyl)methyl]benzotriazole is sourced from PubChem (CID 169108234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).