N-[(5-ethylfuran-2-yl)methyl]-2H-tetrazol-5-amine

C8H11N5O — CID 130616208

IUPACN-[(5-ethylfuran-2-yl)methyl]-2H-tetrazol-5-amine
SMILESCCc1ccc(CNc2nn[nH]n2)o1
InChIInChI=1S/C8H11N5O/c1-2-6-3-4-7(14-6)5-9-8-10-12-13-11-8/h3-4H,2,5H2,1H3,(H2,9,10,11,12,13)
InChIKeyVSYDPQQYGJLBBZ-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.97
Rot. Bonds4

About N-[(5-ethylfuran-2-yl)methyl]-2H-tetrazol-5-amine

N-[(5-ethylfuran-2-yl)methyl]-2H-tetrazol-5-amine (PubChem CID 130616208) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-2H-tetrazol-5-amine
PubChem CID130616208
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-2H-tetrazol-5-amine
SMILESCCc1ccc(CNc2nn[nH]n2)o1
InChIInChI=1S/C8H11N5O/c1-2-6-3-4-7(14-6)5-9-8-10-12-13-11-8/h3-4H,2,5H2,1H3,(H2,9,10,11,12,13)
InChIKeyVSYDPQQYGJLBBZ-UHFFFAOYSA-N
XLogP0.97
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2H-tetrazol-5-amine (CID 130616208) is N-[(5-ethylfuran-2-yl)methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-2H-tetrazol-5-amine is CCc1ccc(CNc2nn[nH]n2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-2H-tetrazol-5-amine?
The InChIKey is VSYDPQQYGJLBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-2-6-3-4-7(14-6)5-9-8-10-12-13-11-8/h3-4H,2,5H2,1H3,(H2,9,10,11,12,13).
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-2H-tetrazol-5-amine?
N-[(5-ethylfuran-2-yl)methyl]-2H-tetrazol-5-amine has a molecular weight of 193.21 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 130616208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).