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

C8H11N5O — CID 63152502

IUPACN-[1-(furan-2-yl)ethyl]-1-methyltetrazol-5-amine
SMILESCC(Nc1nnnn1C)c1ccco1
InChIInChI=1S/C8H11N5O/c1-6(7-4-3-5-14-7)9-8-10-11-12-13(8)2/h3-6H,1-2H3,(H,9,10,12)
InChIKeyIRWDICOSIARNCE-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.98
Rot. Bonds3

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

N-[1-(furan-2-yl)ethyl]-1-methyltetrazol-5-amine (PubChem CID 63152502) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-1-methyltetrazol-5-amine
PubChem CID63152502
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC NameN-[1-(furan-2-yl)ethyl]-1-methyltetrazol-5-amine
SMILESCC(Nc1nnnn1C)c1ccco1
InChIInChI=1S/C8H11N5O/c1-6(7-4-3-5-14-7)9-8-10-11-12-13(8)2/h3-6H,1-2H3,(H,9,10,12)
InChIKeyIRWDICOSIARNCE-UHFFFAOYSA-N
XLogP0.98
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-1-methyltetrazol-5-amine (CID 63152502) is N-[1-(furan-2-yl)ethyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-1-methyltetrazol-5-amine is CC(Nc1nnnn1C)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-1-methyltetrazol-5-amine?
The InChIKey is IRWDICOSIARNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-6(7-4-3-5-14-7)9-8-10-11-12-13(8)2/h3-6H,1-2H3,(H,9,10,12).
What are the key properties of N-[1-(furan-2-yl)ethyl]-1-methyltetrazol-5-amine?
N-[1-(furan-2-yl)ethyl]-1-methyltetrazol-5-amine has a molecular weight of 193.21 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 63152502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).