1-phenyl-5-(2-pyrrolidin-1-ylethenyl)tetrazole

C13H15N5 — CID 2825325

IUPAC1-phenyl-5-(2-pyrrolidin-1-ylethenyl)tetrazole
SMILESC(=CN1CCCC1)c1nnnn1-c1ccccc1
InChIInChI=1S/C13H15N5/c1-2-6-12(7-3-1)18-13(14-15-16-18)8-11-17-9-4-5-10-17/h1-3,6-8,11H,4-5,9-10H2
InChIKeyLBWSGNVMRJXSLA-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.73
Rot. Bonds3

About 1-phenyl-5-(2-pyrrolidin-1-ylethenyl)tetrazole

1-phenyl-5-(2-pyrrolidin-1-ylethenyl)tetrazole (PubChem CID 2825325) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 1-phenyl-5-(2-pyrrolidin-1-ylethenyl)tetrazole.

Molecular Properties

Compound Name1-phenyl-5-(2-pyrrolidin-1-ylethenyl)tetrazole
PubChem CID2825325
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name1-phenyl-5-(2-pyrrolidin-1-ylethenyl)tetrazole
SMILESC(=CN1CCCC1)c1nnnn1-c1ccccc1
InChIInChI=1S/C13H15N5/c1-2-6-12(7-3-1)18-13(14-15-16-18)8-11-17-9-4-5-10-17/h1-3,6-8,11H,4-5,9-10H2
InChIKeyLBWSGNVMRJXSLA-UHFFFAOYSA-N
XLogP1.73
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole
CID 92956545
1-(4-ethylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole
CID 92965167
1-(4-fluorophenyl)-4-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine
CID 6062005
5-ethenyl-1-phenyltetrazole
CID 12753529
(E)-3-[1-(4-pyrrolidin-1-ylphenyl)tetrazol-5-yl]prop-2-enoic acid
CID 82366557
1-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 92909735
1-[(E)-2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 6261307
N-benzyl-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline
CID 14439386
1-[3-[2-(1-phenyltetrazol-5-yl)ethenylamino]phenyl]ethanone
CID 4592804
1-[(1-phenyltetrazol-5-yl)methyl]azepane
CID 47010715
2-nitro-N-[2-(1-phenyltetrazol-5-yl)ethenyl]aniline
CID 2817361
(Z)-3-(1-phenyltetrazol-5-yl)-4-piperidin-1-ylbut-3-en-2-one
CID 15076117

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(2-pyrrolidin-1-ylethenyl)tetrazole?
The IUPAC name of 1-phenyl-5-(2-pyrrolidin-1-ylethenyl)tetrazole (CID 2825325) is 1-phenyl-5-(2-pyrrolidin-1-ylethenyl)tetrazole.
What is the SMILES notation for 1-phenyl-5-(2-pyrrolidin-1-ylethenyl)tetrazole?
The canonical SMILES for 1-phenyl-5-(2-pyrrolidin-1-ylethenyl)tetrazole is C(=CN1CCCC1)c1nnnn1-c1ccccc1.
What is the InChIKey of 1-phenyl-5-(2-pyrrolidin-1-ylethenyl)tetrazole?
The InChIKey is LBWSGNVMRJXSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-2-6-12(7-3-1)18-13(14-15-16-18)8-11-17-9-4-5-10-17/h1-3,6-8,11H,4-5,9-10H2.
What are the key properties of 1-phenyl-5-(2-pyrrolidin-1-ylethenyl)tetrazole?
1-phenyl-5-(2-pyrrolidin-1-ylethenyl)tetrazole has a molecular weight of 241.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(2-pyrrolidin-1-ylethenyl)tetrazole is sourced from PubChem (CID 2825325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).