1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole

C14H17N5 — CID 92956545

IUPAC1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole
SMILESCc1ccc(-n2nnnc2/C=C\N2CCCC2)cc1
InChIInChI=1S/C14H17N5/c1-12-4-6-13(7-5-12)19-14(15-16-17-19)8-11-18-9-2-3-10-18/h4-8,11H,2-3,9-10H2,1H3/b11-8-
InChIKeyGFXVKCCBZVADJN-FLIBITNWSA-N
MW255.33 g/mol
LogP2.04
Rot. Bonds3

About 1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole

1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole (PubChem CID 92956545) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole
PubChem CID92956545
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC Name1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole
SMILESCc1ccc(-n2nnnc2/C=C\N2CCCC2)cc1
InChIInChI=1S/C14H17N5/c1-12-4-6-13(7-5-12)19-14(15-16-17-19)8-11-18-9-2-3-10-18/h4-8,11H,2-3,9-10H2,1H3/b11-8-
InChIKeyGFXVKCCBZVADJN-FLIBITNWSA-N
XLogP2.04
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole?
The IUPAC name of 1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole (CID 92956545) is 1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole.
What is the SMILES notation for 1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole?
The canonical SMILES for 1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole is Cc1ccc(-n2nnnc2/C=C\N2CCCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole?
The InChIKey is GFXVKCCBZVADJN-FLIBITNWSA-N. The full InChI is InChI=1S/C14H17N5/c1-12-4-6-13(7-5-12)19-14(15-16-17-19)8-11-18-9-2-3-10-18/h4-8,11H,2-3,9-10H2,1H3/b11-8-.
What are the key properties of 1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole?
1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole has a molecular weight of 255.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole is sourced from PubChem (CID 92956545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).