3-[2-[5-(furan-2-yl)tetrazol-1-yl]ethoxy]aniline

C13H13N5O2 — CID 84759825

IUPAC3-[2-[5-(furan-2-yl)tetrazol-1-yl]ethoxy]aniline
SMILESNc1cccc(OCCn2nnnc2-c2ccco2)c1
InChIInChI=1S/C13H13N5O2/c14-10-3-1-4-11(9-10)19-8-6-18-13(15-16-17-18)12-5-2-7-20-12/h1-5,7,9H,6,8,14H2
InChIKeyKAZYAFLRIZFCQF-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.59
Rot. Bonds5

About 3-[2-[5-(furan-2-yl)tetrazol-1-yl]ethoxy]aniline

3-[2-[5-(furan-2-yl)tetrazol-1-yl]ethoxy]aniline (PubChem CID 84759825) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-[2-[5-(furan-2-yl)tetrazol-1-yl]ethoxy]aniline.

Molecular Properties

Compound Name3-[2-[5-(furan-2-yl)tetrazol-1-yl]ethoxy]aniline
PubChem CID84759825
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name3-[2-[5-(furan-2-yl)tetrazol-1-yl]ethoxy]aniline
SMILESNc1cccc(OCCn2nnnc2-c2ccco2)c1
InChIInChI=1S/C13H13N5O2/c14-10-3-1-4-11(9-10)19-8-6-18-13(15-16-17-18)12-5-2-7-20-12/h1-5,7,9H,6,8,14H2
InChIKeyKAZYAFLRIZFCQF-UHFFFAOYSA-N
XLogP1.59
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(furan-2-yl)tetrazol-1-yl]propan-1-ol
CID 84759555
3-[2-(1,2,4-triazol-4-yl)ethoxy]aniline
CID 62677754
ethyl 5-amino-1-[2-(3-aminophenoxy)ethyl]triazole-4-carboxylate
CID 82222752
3-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline
CID 82222384
3-[2-(5-propan-2-yltriazol-1-yl)ethoxy]aniline
CID 82222471
2-(furan-2-yl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 17000191
ethyl 1-[2-(3-methylphenoxy)ethyl]tetrazole-5-carboxylate
CID 79317699
1-[2-(3-aminophenoxy)ethyl]piperidin-2-one
CID 43365814
3-[5-(furan-2-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66046032
3-[2-[5-(4-fluoro-3-methylphenyl)triazol-1-yl]ethoxy]aniline
CID 94963342
4-[3-(5-pyridin-3-yltetrazol-1-yl)propoxy]aniline
CID 84759851
1-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-one
CID 60875846

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(furan-2-yl)tetrazol-1-yl]ethoxy]aniline?
The IUPAC name of 3-[2-[5-(furan-2-yl)tetrazol-1-yl]ethoxy]aniline (CID 84759825) is 3-[2-[5-(furan-2-yl)tetrazol-1-yl]ethoxy]aniline.
What is the SMILES notation for 3-[2-[5-(furan-2-yl)tetrazol-1-yl]ethoxy]aniline?
The canonical SMILES for 3-[2-[5-(furan-2-yl)tetrazol-1-yl]ethoxy]aniline is Nc1cccc(OCCn2nnnc2-c2ccco2)c1.
What is the InChIKey of 3-[2-[5-(furan-2-yl)tetrazol-1-yl]ethoxy]aniline?
The InChIKey is KAZYAFLRIZFCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c14-10-3-1-4-11(9-10)19-8-6-18-13(15-16-17-18)12-5-2-7-20-12/h1-5,7,9H,6,8,14H2.
What are the key properties of 3-[2-[5-(furan-2-yl)tetrazol-1-yl]ethoxy]aniline?
3-[2-[5-(furan-2-yl)tetrazol-1-yl]ethoxy]aniline has a molecular weight of 271.28 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(furan-2-yl)tetrazol-1-yl]ethoxy]aniline is sourced from PubChem (CID 84759825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).