2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine

C13H18N6 — CID 114802333

IUPAC2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine
SMILESNCCC1CCN(c2nnnn2-c2ccccc2)C1
InChIInChI=1S/C13H18N6/c14-8-6-11-7-9-18(10-11)13-15-16-17-19(13)12-4-2-1-3-5-12/h1-5,11H,6-10,14H2
InChIKeyHVTDXVQWLNETSO-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.84
Rot. Bonds4

About 2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine

2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine (PubChem CID 114802333) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine
PubChem CID114802333
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine
SMILESNCCC1CCN(c2nnnn2-c2ccccc2)C1
InChIInChI=1S/C13H18N6/c14-8-6-11-7-9-18(10-11)13-15-16-17-19(13)12-4-2-1-3-5-12/h1-5,11H,6-10,14H2
InChIKeyHVTDXVQWLNETSO-UHFFFAOYSA-N
XLogP0.84
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine
CID 705853
(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 102986512
5-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-1-phenyltetrazole
CID 133341877
1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole
CID 97262694
3-[[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl]benzamide
CID 70759328
4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine
CID 70749239
2-[1-(1-phenyltetrazol-5-yl)azetidin-3-yl]acetic acid
CID 64616037
1-(1-phenyltetrazol-5-yl)piperidin-3-ol
CID 18074907
N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 55084372
(4aR,8aS)-6-(1-phenyltetrazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 154823989
1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 47453668
[1-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
CID 28955111

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine (CID 114802333) is 2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine is NCCC1CCN(c2nnnn2-c2ccccc2)C1.
What is the InChIKey of 2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine?
The InChIKey is HVTDXVQWLNETSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c14-8-6-11-7-9-18(10-11)13-15-16-17-19(13)12-4-2-1-3-5-12/h1-5,11H,6-10,14H2.
What are the key properties of 2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine?
2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine has a molecular weight of 258.33 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 114802333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).