2-[5-(furan-2-yl)tetrazol-1-yl]-4,6-dimethylpyridine

C12H11N5O — CID 10847679

IUPAC2-[5-(furan-2-yl)tetrazol-1-yl]-4,6-dimethylpyridine
SMILESCc1cc(C)nc(-n2nnnc2-c2ccco2)c1
InChIInChI=1S/C12H11N5O/c1-8-6-9(2)13-11(7-8)17-12(14-15-16-17)10-4-3-5-18-10/h3-7H,1-2H3
InChIKeyHRQMSVKMPPSWIP-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.93
Rot. Bonds2

About 2-[5-(furan-2-yl)tetrazol-1-yl]-4,6-dimethylpyridine

2-[5-(furan-2-yl)tetrazol-1-yl]-4,6-dimethylpyridine (PubChem CID 10847679) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)tetrazol-1-yl]-4,6-dimethylpyridine.

Molecular Properties

Compound Name2-[5-(furan-2-yl)tetrazol-1-yl]-4,6-dimethylpyridine
PubChem CID10847679
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name2-[5-(furan-2-yl)tetrazol-1-yl]-4,6-dimethylpyridine
SMILESCc1cc(C)nc(-n2nnnc2-c2ccco2)c1
InChIInChI=1S/C12H11N5O/c1-8-6-9(2)13-11(7-8)17-12(14-15-16-17)10-4-3-5-18-10/h3-7H,1-2H3
InChIKeyHRQMSVKMPPSWIP-UHFFFAOYSA-N
XLogP1.93
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(furan-2-yl)-5-methoxyphenyl]-5-methyltetrazole
CID 168525774
3-[5-(furan-2-yl)tetrazol-1-yl]propan-1-ol
CID 84759555
5-(furan-2-yl)-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
CID 8684722
2-ethyl-2-[5-(furan-2-yl)tetrazol-1-yl]butanoic acid
CID 79809564
3-[5-(furan-2-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66046032
3-[2-[5-(furan-2-yl)tetrazol-1-yl]ethoxy]aniline
CID 84759825
1-[2-(furan-2-yl)phenyl]-3,5-dimethylpyrazole
CID 168525628
2-(furan-2-yl)-N,6-dimethylpyrimidin-4-amine
CID 62190628
5-(furan-2-yl)-1,3-dimethylpyrazole
CID 59635617
5-(furan-2-yl)-1-(3-methylphenyl)triazole-4-carbonitrile
CID 82197960
2,3-bis(furan-2-yl)-6,7-dimethylquinoxaline
CID 5125983
5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 42880997

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)tetrazol-1-yl]-4,6-dimethylpyridine?
The IUPAC name of 2-[5-(furan-2-yl)tetrazol-1-yl]-4,6-dimethylpyridine (CID 10847679) is 2-[5-(furan-2-yl)tetrazol-1-yl]-4,6-dimethylpyridine.
What is the SMILES notation for 2-[5-(furan-2-yl)tetrazol-1-yl]-4,6-dimethylpyridine?
The canonical SMILES for 2-[5-(furan-2-yl)tetrazol-1-yl]-4,6-dimethylpyridine is Cc1cc(C)nc(-n2nnnc2-c2ccco2)c1.
What is the InChIKey of 2-[5-(furan-2-yl)tetrazol-1-yl]-4,6-dimethylpyridine?
The InChIKey is HRQMSVKMPPSWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-8-6-9(2)13-11(7-8)17-12(14-15-16-17)10-4-3-5-18-10/h3-7H,1-2H3.
What are the key properties of 2-[5-(furan-2-yl)tetrazol-1-yl]-4,6-dimethylpyridine?
2-[5-(furan-2-yl)tetrazol-1-yl]-4,6-dimethylpyridine has a molecular weight of 241.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)tetrazol-1-yl]-4,6-dimethylpyridine is sourced from PubChem (CID 10847679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).