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

C10H15N5O — CID 62566798

IUPACN-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCn1nnc(-c2ccco2)n1
InChIInChI=1S/C10H15N5O/c1-2-5-11-6-7-15-13-10(12-14-15)9-4-3-8-16-9/h3-4,8,11H,2,5-7H2,1H3
InChIKeyOBZOMXGSAXTORU-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.93
Rot. Bonds6

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

N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]propan-1-amine (PubChem CID 62566798) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]propan-1-amine
PubChem CID62566798
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC NameN-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCn1nnc(-c2ccco2)n1
InChIInChI=1S/C10H15N5O/c1-2-5-11-6-7-15-13-10(12-14-15)9-4-3-8-16-9/h3-4,8,11H,2,5-7H2,1H3
InChIKeyOBZOMXGSAXTORU-UHFFFAOYSA-N
XLogP0.93
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]propan-1-amine (CID 62566798) is N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]propan-1-amine is CCCNCCn1nnc(-c2ccco2)n1.
What is the InChIKey of N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]propan-1-amine?
The InChIKey is OBZOMXGSAXTORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-2-5-11-6-7-15-13-10(12-14-15)9-4-3-8-16-9/h3-4,8,11H,2,5-7H2,1H3.
What are the key properties of N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]propan-1-amine?
N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]propan-1-amine has a molecular weight of 221.26 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62566798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).