1-[3-(furan-2-yl)-5-methoxyphenyl]-5-methyltetrazole

C13H12N4O2 — CID 168525774

IUPAC1-[3-(furan-2-yl)-5-methoxyphenyl]-5-methyltetrazole
SMILESCOc1cc(-c2ccco2)cc(-n2nnnc2C)c1
InChIInChI=1S/C13H12N4O2/c1-9-14-15-16-17(9)11-6-10(7-12(8-11)18-2)13-4-3-5-19-13/h3-8H,1-2H3
InChIKeyNDMYICZZYZXBSN-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.24
Rot. Bonds3

About 1-[3-(furan-2-yl)-5-methoxyphenyl]-5-methyltetrazole

1-[3-(furan-2-yl)-5-methoxyphenyl]-5-methyltetrazole (PubChem CID 168525774) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)-5-methoxyphenyl]-5-methyltetrazole.

Molecular Properties

Compound Name1-[3-(furan-2-yl)-5-methoxyphenyl]-5-methyltetrazole
PubChem CID168525774
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name1-[3-(furan-2-yl)-5-methoxyphenyl]-5-methyltetrazole
SMILESCOc1cc(-c2ccco2)cc(-n2nnnc2C)c1
InChIInChI=1S/C13H12N4O2/c1-9-14-15-16-17(9)11-6-10(7-12(8-11)18-2)13-4-3-5-19-13/h3-8H,1-2H3
InChIKeyNDMYICZZYZXBSN-UHFFFAOYSA-N
XLogP2.24
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;1-(3-methoxy-5-methylphenyl)-5-methyltetrazole
CID 144718344
3-(furan-2-yl)-5-methoxypyridine
CID 174589333
2-[[3-methoxy-5-(5-methyltetrazol-1-yl)anilino]methylidene]propanedinitrile
CID 168542547
1-chloro-3-[3-methoxy-5-(5-methyltetrazol-1-yl)anilino]propan-2-ol
CID 168637806
N-[1-(furan-2-yl)ethyl]-3-(5-methyltetrazol-1-yl)aniline
CID 43734008
2-(4-chloro-3,5-dimethylphenyl)furan
CID 168527809
3-(5-methyltetrazol-1-yl)-5-phenylbenzoic acid
CID 151002754
2-[5-(furan-2-yl)tetrazol-1-yl]-4,6-dimethylpyridine
CID 10847679
6-(3,5-dimethoxyphenyl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 5311864
N-[1-(furan-2-yl)propyl]-3-(5-methyltetrazol-1-yl)aniline
CID 62633991
[3-(5-methyltetrazol-1-yl)phenyl]methanamine
CID 82504564
1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736102

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)-5-methoxyphenyl]-5-methyltetrazole?
The IUPAC name of 1-[3-(furan-2-yl)-5-methoxyphenyl]-5-methyltetrazole (CID 168525774) is 1-[3-(furan-2-yl)-5-methoxyphenyl]-5-methyltetrazole.
What is the SMILES notation for 1-[3-(furan-2-yl)-5-methoxyphenyl]-5-methyltetrazole?
The canonical SMILES for 1-[3-(furan-2-yl)-5-methoxyphenyl]-5-methyltetrazole is COc1cc(-c2ccco2)cc(-n2nnnc2C)c1.
What is the InChIKey of 1-[3-(furan-2-yl)-5-methoxyphenyl]-5-methyltetrazole?
The InChIKey is NDMYICZZYZXBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-9-14-15-16-17(9)11-6-10(7-12(8-11)18-2)13-4-3-5-19-13/h3-8H,1-2H3.
What are the key properties of 1-[3-(furan-2-yl)-5-methoxyphenyl]-5-methyltetrazole?
1-[3-(furan-2-yl)-5-methoxyphenyl]-5-methyltetrazole has a molecular weight of 256.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-yl)-5-methoxyphenyl]-5-methyltetrazole is sourced from PubChem (CID 168525774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).