5-(naphthalen-1-ylmethyl)-2H-tetrazole

C12H10N4 — CID 2988287

IUPAC5-(naphthalen-1-ylmethyl)-2H-tetrazole
SMILESc1ccc2c(Cc3nn[nH]n3)cccc2c1
InChIInChI=1S/C12H10N4/c1-2-7-11-9(4-1)5-3-6-10(11)8-12-13-15-16-14-12/h1-7H,8H2,(H,13,14,15,16)
InChIKeyJSMCZPDNYGAZSO-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.94
Rot. Bonds2

About 5-(naphthalen-1-ylmethyl)-2H-tetrazole

5-(naphthalen-1-ylmethyl)-2H-tetrazole (PubChem CID 2988287) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-(naphthalen-1-ylmethyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(naphthalen-1-ylmethyl)-2H-tetrazole
PubChem CID2988287
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name5-(naphthalen-1-ylmethyl)-2H-tetrazole
SMILESc1ccc2c(Cc3nn[nH]n3)cccc2c1
InChIInChI=1S/C12H10N4/c1-2-7-11-9(4-1)5-3-6-10(11)8-12-13-15-16-14-12/h1-7H,8H2,(H,13,14,15,16)
InChIKeyJSMCZPDNYGAZSO-UHFFFAOYSA-N
XLogP1.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-ylmethyl)-2H-tetrazole?
The IUPAC name of 5-(naphthalen-1-ylmethyl)-2H-tetrazole (CID 2988287) is 5-(naphthalen-1-ylmethyl)-2H-tetrazole.
What is the SMILES notation for 5-(naphthalen-1-ylmethyl)-2H-tetrazole?
The canonical SMILES for 5-(naphthalen-1-ylmethyl)-2H-tetrazole is c1ccc2c(Cc3nn[nH]n3)cccc2c1.
What is the InChIKey of 5-(naphthalen-1-ylmethyl)-2H-tetrazole?
The InChIKey is JSMCZPDNYGAZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-2-7-11-9(4-1)5-3-6-10(11)8-12-13-15-16-14-12/h1-7H,8H2,(H,13,14,15,16).
What are the key properties of 5-(naphthalen-1-ylmethyl)-2H-tetrazole?
5-(naphthalen-1-ylmethyl)-2H-tetrazole has a molecular weight of 210.24 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-ylmethyl)-2H-tetrazole is sourced from PubChem (CID 2988287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).