5,6-bis(4-chlorophenyl)-3-(tetrazol-2-ylmethyl)pyrazine-2-carboxylic acid

C19H12Cl2N6O2 — CID 69141636

IUPAC5,6-bis(4-chlorophenyl)-3-(tetrazol-2-ylmethyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1Cn1ncnn1
InChIInChI=1S/C19H12Cl2N6O2/c20-13-5-1-11(2-6-13)16-17(12-3-7-14(21)8-4-12)25-18(19(28)29)15(24-16)9-27-23-10-22-26-27/h1-8,10H,9H2,(H,28,29)
InChIKeyUGSLNMSZEWVBDJ-UHFFFAOYSA-N
MW427.25 g/mol
LogP3.85
Rot. Bonds5

About 5,6-bis(4-chlorophenyl)-3-(tetrazol-2-ylmethyl)pyrazine-2-carboxylic acid

5,6-bis(4-chlorophenyl)-3-(tetrazol-2-ylmethyl)pyrazine-2-carboxylic acid (PubChem CID 69141636) has the molecular formula C19H12Cl2N6O2 and a molecular weight of 427.25 g/mol. Its IUPAC name is 5,6-bis(4-chlorophenyl)-3-(tetrazol-2-ylmethyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5,6-bis(4-chlorophenyl)-3-(tetrazol-2-ylmethyl)pyrazine-2-carboxylic acid
PubChem CID69141636
Molecular FormulaC19H12Cl2N6O2
Molecular Weight427.25 g/mol
Exact Mass426.04
IUPAC Name5,6-bis(4-chlorophenyl)-3-(tetrazol-2-ylmethyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1Cn1ncnn1
InChIInChI=1S/C19H12Cl2N6O2/c20-13-5-1-11(2-6-13)16-17(12-3-7-14(21)8-4-12)25-18(19(28)29)15(24-16)9-27-23-10-22-26-27/h1-8,10H,9H2,(H,28,29)
InChIKeyUGSLNMSZEWVBDJ-UHFFFAOYSA-N
XLogP3.85
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-chlorophenyl)-3-(tetrazol-2-ylmethyl)pyrazine-2-carboxylic acid?
The IUPAC name of 5,6-bis(4-chlorophenyl)-3-(tetrazol-2-ylmethyl)pyrazine-2-carboxylic acid (CID 69141636) is 5,6-bis(4-chlorophenyl)-3-(tetrazol-2-ylmethyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5,6-bis(4-chlorophenyl)-3-(tetrazol-2-ylmethyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5,6-bis(4-chlorophenyl)-3-(tetrazol-2-ylmethyl)pyrazine-2-carboxylic acid is O=C(O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1Cn1ncnn1.
What is the InChIKey of 5,6-bis(4-chlorophenyl)-3-(tetrazol-2-ylmethyl)pyrazine-2-carboxylic acid?
The InChIKey is UGSLNMSZEWVBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N6O2/c20-13-5-1-11(2-6-13)16-17(12-3-7-14(21)8-4-12)25-18(19(28)29)15(24-16)9-27-23-10-22-26-27/h1-8,10H,9H2,(H,28,29).
What are the key properties of 5,6-bis(4-chlorophenyl)-3-(tetrazol-2-ylmethyl)pyrazine-2-carboxylic acid?
5,6-bis(4-chlorophenyl)-3-(tetrazol-2-ylmethyl)pyrazine-2-carboxylic acid has a molecular weight of 427.25 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-chlorophenyl)-3-(tetrazol-2-ylmethyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 69141636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).