5-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-1-methyltetrazole

C17H14N4 — CID 139971797

IUPAC5-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-1-methyltetrazole
SMILESCn1nnnc1-c1c(C2C=CC=C2)ccc2ccccc12
InChIInChI=1S/C17H14N4/c1-21-17(18-19-20-21)16-14-9-5-4-8-13(14)10-11-15(16)12-6-2-3-7-12/h2-12H,1H3
InChIKeyQXDGVXDKRBYPIP-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.24
Rot. Bonds2

About 5-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-1-methyltetrazole

5-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-1-methyltetrazole (PubChem CID 139971797) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-1-methyltetrazole.

Molecular Properties

Compound Name5-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-1-methyltetrazole
PubChem CID139971797
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name5-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-1-methyltetrazole
SMILESCn1nnnc1-c1c(C2C=CC=C2)ccc2ccccc12
InChIInChI=1S/C17H14N4/c1-21-17(18-19-20-21)16-14-9-5-4-8-13(14)10-11-15(16)12-6-2-3-7-12/h2-12H,1H3
InChIKeyQXDGVXDKRBYPIP-UHFFFAOYSA-N
XLogP3.24
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-1-methyltetrazole?
The IUPAC name of 5-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-1-methyltetrazole (CID 139971797) is 5-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-1-methyltetrazole.
What is the SMILES notation for 5-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-1-methyltetrazole?
The canonical SMILES for 5-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-1-methyltetrazole is Cn1nnnc1-c1c(C2C=CC=C2)ccc2ccccc12.
What is the InChIKey of 5-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-1-methyltetrazole?
The InChIKey is QXDGVXDKRBYPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-21-17(18-19-20-21)16-14-9-5-4-8-13(14)10-11-15(16)12-6-2-3-7-12/h2-12H,1H3.
What are the key properties of 5-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-1-methyltetrazole?
5-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-1-methyltetrazole has a molecular weight of 274.33 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-1-methyltetrazole is sourced from PubChem (CID 139971797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).