[2-[(5-methylfuran-2-yl)methyl]tetrazol-5-yl]methanamine

C8H11N5O — CID 83637113

IUPAC[2-[(5-methylfuran-2-yl)methyl]tetrazol-5-yl]methanamine
SMILESCc1ccc(Cn2nnc(CN)n2)o1
InChIInChI=1S/C8H11N5O/c1-6-2-3-7(14-6)5-13-11-8(4-9)10-12-13/h2-3H,4-5,9H2,1H3
InChIKeyFVFJMUKPQMYNJN-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.08
Rot. Bonds3

About [2-[(5-methylfuran-2-yl)methyl]tetrazol-5-yl]methanamine

[2-[(5-methylfuran-2-yl)methyl]tetrazol-5-yl]methanamine (PubChem CID 83637113) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is [2-[(5-methylfuran-2-yl)methyl]tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(5-methylfuran-2-yl)methyl]tetrazol-5-yl]methanamine
PubChem CID83637113
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name[2-[(5-methylfuran-2-yl)methyl]tetrazol-5-yl]methanamine
SMILESCc1ccc(Cn2nnc(CN)n2)o1
InChIInChI=1S/C8H11N5O/c1-6-2-3-7(14-6)5-13-11-8(4-9)10-12-13/h2-3H,4-5,9H2,1H3
InChIKeyFVFJMUKPQMYNJN-UHFFFAOYSA-N
XLogP0.08
TPSA82.76 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 ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(thiophen-2-ylmethyl)tetrazol-5-yl]methanamine
CID 83531293
[2-[(5-chlorothiophen-2-yl)methyl]tetrazol-5-yl]methanamine
CID 83644151
[2-[(4-butylphenyl)methyl]tetrazol-5-yl]methanamine
CID 112518474
4-[1-[(5-methylfuran-2-yl)methyl]triazol-4-yl]butan-1-amine
CID 104539378
1-(5-methylfuran-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 107042362
[3-methyl-5-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine
CID 62449218
2-fluoropropane;(5-methylfuran-2-yl)methanamine
CID 142882995
4-bromo-3,5-dimethyl-1-[(5-methylfuran-2-yl)methyl]pyrazole
CID 62129091
3-methyl-5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole
CID 18099850
1-[(5-methylfuran-2-yl)methyl]triazole-4-carboxylic acid
CID 62059937
3-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]propan-1-amine
CID 54855936
1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione
CID 16762249

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methylfuran-2-yl)methyl]tetrazol-5-yl]methanamine?
The IUPAC name of [2-[(5-methylfuran-2-yl)methyl]tetrazol-5-yl]methanamine (CID 83637113) is [2-[(5-methylfuran-2-yl)methyl]tetrazol-5-yl]methanamine.
What is the SMILES notation for [2-[(5-methylfuran-2-yl)methyl]tetrazol-5-yl]methanamine?
The canonical SMILES for [2-[(5-methylfuran-2-yl)methyl]tetrazol-5-yl]methanamine is Cc1ccc(Cn2nnc(CN)n2)o1.
What is the InChIKey of [2-[(5-methylfuran-2-yl)methyl]tetrazol-5-yl]methanamine?
The InChIKey is FVFJMUKPQMYNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-6-2-3-7(14-6)5-13-11-8(4-9)10-12-13/h2-3H,4-5,9H2,1H3.
What are the key properties of [2-[(5-methylfuran-2-yl)methyl]tetrazol-5-yl]methanamine?
[2-[(5-methylfuran-2-yl)methyl]tetrazol-5-yl]methanamine has a molecular weight of 193.21 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methylfuran-2-yl)methyl]tetrazol-5-yl]methanamine is sourced from PubChem (CID 83637113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).