1-methyl-5-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]tetrazole

C21H22N4 — CID 139971786

IUPAC1-methyl-5-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]tetrazole
SMILESCC1=C(C)C(c2ccc3ccccc3c2-c2nnnn2C)C(C)=C1C
InChIInChI=1S/C21H22N4/c1-12-13(2)15(4)19(14(12)3)18-11-10-16-8-6-7-9-17(16)20(18)21-22-23-24-25(21)5/h6-11,19H,1-5H3
InChIKeyKNRNFQQGTAPLSU-UHFFFAOYSA-N
MW330.44 g/mol
LogP4.80
Rot. Bonds2

About 1-methyl-5-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]tetrazole

1-methyl-5-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]tetrazole (PubChem CID 139971786) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-methyl-5-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]tetrazole.

Molecular Properties

Compound Name1-methyl-5-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]tetrazole
PubChem CID139971786
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name1-methyl-5-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]tetrazole
SMILESCC1=C(C)C(c2ccc3ccccc3c2-c2nnnn2C)C(C)=C1C
InChIInChI=1S/C21H22N4/c1-12-13(2)15(4)19(14(12)3)18-11-10-16-8-6-7-9-17(16)20(18)21-22-23-24-25(21)5/h6-11,19H,1-5H3
InChIKeyKNRNFQQGTAPLSU-UHFFFAOYSA-N
XLogP4.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]tetrazole?
The IUPAC name of 1-methyl-5-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]tetrazole (CID 139971786) is 1-methyl-5-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]tetrazole.
What is the SMILES notation for 1-methyl-5-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]tetrazole?
The canonical SMILES for 1-methyl-5-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]tetrazole is CC1=C(C)C(c2ccc3ccccc3c2-c2nnnn2C)C(C)=C1C.
What is the InChIKey of 1-methyl-5-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]tetrazole?
The InChIKey is KNRNFQQGTAPLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-12-13(2)15(4)19(14(12)3)18-11-10-16-8-6-7-9-17(16)20(18)21-22-23-24-25(21)5/h6-11,19H,1-5H3.
What are the key properties of 1-methyl-5-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]tetrazole?
1-methyl-5-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]tetrazole has a molecular weight of 330.44 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]tetrazole is sourced from PubChem (CID 139971786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).