1-(furan-2-yl)-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]ethanamine

C13H15N5O2 — CID 62566253

IUPAC1-(furan-2-yl)-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]ethanamine
SMILESCC(NCCn1nnc(-c2ccco2)n1)c1ccco1
InChIInChI=1S/C13H15N5O2/c1-10(11-4-2-8-19-11)14-6-7-18-16-13(15-17-18)12-5-3-9-20-12/h2-5,8-10,14H,6-7H2,1H3
InChIKeyJZSHHPMTDAJXQY-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.88
Rot. Bonds6

About 1-(furan-2-yl)-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]ethanamine

1-(furan-2-yl)-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]ethanamine (PubChem CID 62566253) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]ethanamine
PubChem CID62566253
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name1-(furan-2-yl)-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]ethanamine
SMILESCC(NCCn1nnc(-c2ccco2)n1)c1ccco1
InChIInChI=1S/C13H15N5O2/c1-10(11-4-2-8-19-11)14-6-7-18-16-13(15-17-18)12-5-3-9-20-12/h2-5,8-10,14H,6-7H2,1H3
InChIKeyJZSHHPMTDAJXQY-UHFFFAOYSA-N
XLogP1.88
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]propan-1-amine
CID 62566798
N-[3-[5-(furan-2-yl)tetrazol-2-yl]propyl]-2-methylpropan-2-amine
CID 55088040
N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]pentan-1-amine
CID 62566254
N-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine
CID 55070699
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)ethanamine
CID 62566249
4-ethoxy-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]butan-1-amine
CID 62567183
N-[2-[5-(furan-2-yl)tetrazol-2-yl]propyl]pentan-3-amine
CID 62567377
2-[5-(furan-2-yl)tetrazol-2-yl]acetaldehyde
CID 62025655
4-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-2-methylbutanoic acid
CID 80537343
N-[2-(benzotriazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 62562505
(2R)-1-[5-(furan-2-yl)tetrazol-2-yl]-3-propan-2-yloxypropan-2-ol
CID 124614806
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 62565271

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]ethanamine?
The IUPAC name of 1-(furan-2-yl)-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]ethanamine (CID 62566253) is 1-(furan-2-yl)-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]ethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]ethanamine is CC(NCCn1nnc(-c2ccco2)n1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]ethanamine?
The InChIKey is JZSHHPMTDAJXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-10(11-4-2-8-19-11)14-6-7-18-16-13(15-17-18)12-5-3-9-20-12/h2-5,8-10,14H,6-7H2,1H3.
What are the key properties of 1-(furan-2-yl)-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]ethanamine?
1-(furan-2-yl)-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]ethanamine has a molecular weight of 273.30 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]ethanamine is sourced from PubChem (CID 62566253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).