5,6-bis[1-(4-chlorophenyl)tetrazol-5-yl]pyrazine-2-carbonitrile

C19H9Cl2N11 — CID 69460237

IUPAC5,6-bis[1-(4-chlorophenyl)tetrazol-5-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(-c2nnnn2-c2ccc(Cl)cc2)c(-c2nnnn2-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H9Cl2N11/c20-11-1-5-14(6-2-11)31-18(25-27-29-31)16-17(24-13(9-22)10-23-16)19-26-28-30-32(19)15-7-3-12(21)4-8-15/h1-8,10H
InChIKeyFUKITWQMPLQHTE-UHFFFAOYSA-N
MW462.26 g/mol
LogP2.94
Rot. Bonds4

About 5,6-bis[1-(4-chlorophenyl)tetrazol-5-yl]pyrazine-2-carbonitrile

5,6-bis[1-(4-chlorophenyl)tetrazol-5-yl]pyrazine-2-carbonitrile (PubChem CID 69460237) has the molecular formula C19H9Cl2N11 and a molecular weight of 462.26 g/mol. Its IUPAC name is 5,6-bis[1-(4-chlorophenyl)tetrazol-5-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5,6-bis[1-(4-chlorophenyl)tetrazol-5-yl]pyrazine-2-carbonitrile
PubChem CID69460237
Molecular FormulaC19H9Cl2N11
Molecular Weight462.26 g/mol
Exact Mass461.04
IUPAC Name5,6-bis[1-(4-chlorophenyl)tetrazol-5-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(-c2nnnn2-c2ccc(Cl)cc2)c(-c2nnnn2-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H9Cl2N11/c20-11-1-5-14(6-2-11)31-18(25-27-29-31)16-17(24-13(9-22)10-23-16)19-26-28-30-32(19)15-7-3-12(21)4-8-15/h1-8,10H
InChIKeyFUKITWQMPLQHTE-UHFFFAOYSA-N
XLogP2.94
TPSA136.77 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

3-[(6R,8aS)-6-[2-(3-chlorophenyl)tetrazol-5-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrazine-2-carbonitrile
CID 15942645
US9981950, Example 25
CID 118870095
US9981950, Example 31
CID 118870102
US9981950, Example 27
CID 118870108
US9981950, Example 24
CID 118870164
3-(4-Chlorophenyl)-3H-[1,2,3]triazolo[4,5-b]pyridine
CID 12445471
1-[[1-(4-Chlorophenyl)triazol-4-yl]methyl]benzimidazole
CID 122196140
US9981950, Example 2
CID 118870145
US9981950, Example 26
CID 118870174
US9981950, Example 1
CID 71970823
US9981950, Example 6
CID 118870068
US9981950, Example 9
CID 118870118

Frequently Asked Questions

What is the IUPAC name of 5,6-bis[1-(4-chlorophenyl)tetrazol-5-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5,6-bis[1-(4-chlorophenyl)tetrazol-5-yl]pyrazine-2-carbonitrile (CID 69460237) is 5,6-bis[1-(4-chlorophenyl)tetrazol-5-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5,6-bis[1-(4-chlorophenyl)tetrazol-5-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5,6-bis[1-(4-chlorophenyl)tetrazol-5-yl]pyrazine-2-carbonitrile is N#Cc1cnc(-c2nnnn2-c2ccc(Cl)cc2)c(-c2nnnn2-c2ccc(Cl)cc2)n1.
What is the InChIKey of 5,6-bis[1-(4-chlorophenyl)tetrazol-5-yl]pyrazine-2-carbonitrile?
The InChIKey is FUKITWQMPLQHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9Cl2N11/c20-11-1-5-14(6-2-11)31-18(25-27-29-31)16-17(24-13(9-22)10-23-16)19-26-28-30-32(19)15-7-3-12(21)4-8-15/h1-8,10H.
What are the key properties of 5,6-bis[1-(4-chlorophenyl)tetrazol-5-yl]pyrazine-2-carbonitrile?
5,6-bis[1-(4-chlorophenyl)tetrazol-5-yl]pyrazine-2-carbonitrile has a molecular weight of 462.26 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis[1-(4-chlorophenyl)tetrazol-5-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 69460237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).