1-(4-chlorophenyl)-5-[(E)-2-pyrrolidin-1-ylethenyl]tetrazole

C13H14ClN5 — CID 6105206

IUPAC1-(4-chlorophenyl)-5-[(E)-2-pyrrolidin-1-ylethenyl]tetrazole
SMILESClc1ccc(-n2nnnc2/C=C/N2CCCC2)cc1
InChIInChI=1S/C13H14ClN5/c14-11-3-5-12(6-4-11)19-13(15-16-17-19)7-10-18-8-1-2-9-18/h3-7,10H,1-2,8-9H2/b10-7+
InChIKeyAWZXHTKJIRNBCA-JXMROGBWSA-N
MW275.74 g/mol
LogP2.38
Rot. Bonds3

About 1-(4-chlorophenyl)-5-[(E)-2-pyrrolidin-1-ylethenyl]tetrazole

1-(4-chlorophenyl)-5-[(E)-2-pyrrolidin-1-ylethenyl]tetrazole (PubChem CID 6105206) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-[(E)-2-pyrrolidin-1-ylethenyl]tetrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-[(E)-2-pyrrolidin-1-ylethenyl]tetrazole
PubChem CID6105206
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC Name1-(4-chlorophenyl)-5-[(E)-2-pyrrolidin-1-ylethenyl]tetrazole
SMILESClc1ccc(-n2nnnc2/C=C/N2CCCC2)cc1
InChIInChI=1S/C13H14ClN5/c14-11-3-5-12(6-4-11)19-13(15-16-17-19)7-10-18-8-1-2-9-18/h3-7,10H,1-2,8-9H2/b10-7+
InChIKeyAWZXHTKJIRNBCA-JXMROGBWSA-N
XLogP2.38
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-[(E)-2-pyrrolidin-1-ylethenyl]tetrazole?
The IUPAC name of 1-(4-chlorophenyl)-5-[(E)-2-pyrrolidin-1-ylethenyl]tetrazole (CID 6105206) is 1-(4-chlorophenyl)-5-[(E)-2-pyrrolidin-1-ylethenyl]tetrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-[(E)-2-pyrrolidin-1-ylethenyl]tetrazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-[(E)-2-pyrrolidin-1-ylethenyl]tetrazole is Clc1ccc(-n2nnnc2/C=C/N2CCCC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-[(E)-2-pyrrolidin-1-ylethenyl]tetrazole?
The InChIKey is AWZXHTKJIRNBCA-JXMROGBWSA-N. The full InChI is InChI=1S/C13H14ClN5/c14-11-3-5-12(6-4-11)19-13(15-16-17-19)7-10-18-8-1-2-9-18/h3-7,10H,1-2,8-9H2/b10-7+.
What are the key properties of 1-(4-chlorophenyl)-5-[(E)-2-pyrrolidin-1-ylethenyl]tetrazole?
1-(4-chlorophenyl)-5-[(E)-2-pyrrolidin-1-ylethenyl]tetrazole has a molecular weight of 275.74 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 1-(4-chlorophenyl)-5-[(E)-2-pyrrolidin-1-ylethenyl]tetrazole is sourced from PubChem (CID 6105206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).