3-[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]aniline

C14H20N6O — CID 82228482

IUPAC3-[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]aniline
SMILESNc1cccc(-c2nnnn2CCCN2CCOCC2)c1
InChIInChI=1S/C14H20N6O/c15-13-4-1-3-12(11-13)14-16-17-18-20(14)6-2-5-19-7-9-21-10-8-19/h1,3-4,11H,2,5-10,15H2
InChIKeyGWKDYTASFLYUNT-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.64
Rot. Bonds5

About 3-[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]aniline

3-[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]aniline (PubChem CID 82228482) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]aniline
PubChem CID82228482
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name3-[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]aniline
SMILESNc1cccc(-c2nnnn2CCCN2CCOCC2)c1
InChIInChI=1S/C14H20N6O/c15-13-4-1-3-12(11-13)14-16-17-18-20(14)6-2-5-19-7-9-21-10-8-19/h1,3-4,11H,2,5-10,15H2
InChIKeyGWKDYTASFLYUNT-UHFFFAOYSA-N
XLogP0.64
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]aniline 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

3-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]aniline
CID 82228486
3-[1-(1,4-dioxan-2-ylmethyl)tetrazol-5-yl]aniline
CID 61351622
2-[5-[3-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]acetonitrile
CID 84759169
3-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]aniline
CID 104765247
3-[1-[(1-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
CID 63829431
3-[5-(3-bromophenyl)tetrazol-1-yl]propan-1-amine
CID 61373336
3-[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]propan-1-amine
CID 82228394
3-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]aniline
CID 61410113
4-[5-(3-chlorophenyl)tetrazol-1-yl]butan-1-amine
CID 114182232
(2R)-1-(2-morpholin-4-ylethylamino)-3-(5-phenyltetrazol-1-yl)propan-2-ol
CID 92764782
3,5-bis(3-aminophenyl)-1,2,4-triazol-4-amine
CID 5302316
3-(1-butyltetrazol-5-yl)-5-methylaniline
CID 113396325

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]aniline?
The IUPAC name of 3-[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]aniline (CID 82228482) is 3-[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 3-[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]aniline?
The canonical SMILES for 3-[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]aniline is Nc1cccc(-c2nnnn2CCCN2CCOCC2)c1.
What is the InChIKey of 3-[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]aniline?
The InChIKey is GWKDYTASFLYUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c15-13-4-1-3-12(11-13)14-16-17-18-20(14)6-2-5-19-7-9-21-10-8-19/h1,3-4,11H,2,5-10,15H2.
What are the key properties of 3-[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]aniline?
3-[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]aniline has a molecular weight of 288.35 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 82228482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).