5-ethyl-2-(naphthalen-2-ylmethyl)tetrazole

C14H14N4 — CID 71031122

IUPAC5-ethyl-2-(naphthalen-2-ylmethyl)tetrazole
SMILESCCc1nnn(Cc2ccc3ccccc3c2)n1
InChIInChI=1S/C14H14N4/c1-2-14-15-17-18(16-14)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9H,2,10H2,1H3
InChIKeyQYDVJHCXUIAKLY-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.44
Rot. Bonds3

About 5-ethyl-2-(naphthalen-2-ylmethyl)tetrazole

5-ethyl-2-(naphthalen-2-ylmethyl)tetrazole (PubChem CID 71031122) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-ethyl-2-(naphthalen-2-ylmethyl)tetrazole.

Molecular Properties

Compound Name5-ethyl-2-(naphthalen-2-ylmethyl)tetrazole
PubChem CID71031122
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name5-ethyl-2-(naphthalen-2-ylmethyl)tetrazole
SMILESCCc1nnn(Cc2ccc3ccccc3c2)n1
InChIInChI=1S/C14H14N4/c1-2-14-15-17-18(16-14)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9H,2,10H2,1H3
InChIKeyQYDVJHCXUIAKLY-UHFFFAOYSA-N
XLogP2.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(naphthalen-2-ylmethyl)tetrazole?
The IUPAC name of 5-ethyl-2-(naphthalen-2-ylmethyl)tetrazole (CID 71031122) is 5-ethyl-2-(naphthalen-2-ylmethyl)tetrazole.
What is the SMILES notation for 5-ethyl-2-(naphthalen-2-ylmethyl)tetrazole?
The canonical SMILES for 5-ethyl-2-(naphthalen-2-ylmethyl)tetrazole is CCc1nnn(Cc2ccc3ccccc3c2)n1.
What is the InChIKey of 5-ethyl-2-(naphthalen-2-ylmethyl)tetrazole?
The InChIKey is QYDVJHCXUIAKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-2-14-15-17-18(16-14)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9H,2,10H2,1H3.
What are the key properties of 5-ethyl-2-(naphthalen-2-ylmethyl)tetrazole?
5-ethyl-2-(naphthalen-2-ylmethyl)tetrazole has a molecular weight of 238.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(naphthalen-2-ylmethyl)tetrazole is sourced from PubChem (CID 71031122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).