5-methyl-1-naphthalen-1-yltetrazole

C12H10N4 — CID 59127394

IUPAC5-methyl-1-naphthalen-1-yltetrazole
SMILESCc1nnnn1-c1cccc2ccccc12
InChIInChI=1S/C12H10N4/c1-9-13-14-15-16(9)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3
InChIKeyPTTMMONNYVLHRZ-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.12
Rot. Bonds1

About 5-methyl-1-naphthalen-1-yltetrazole

5-methyl-1-naphthalen-1-yltetrazole (PubChem CID 59127394) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-methyl-1-naphthalen-1-yltetrazole.

Molecular Properties

Compound Name5-methyl-1-naphthalen-1-yltetrazole
PubChem CID59127394
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name5-methyl-1-naphthalen-1-yltetrazole
SMILESCc1nnnn1-c1cccc2ccccc12
InChIInChI=1S/C12H10N4/c1-9-13-14-15-16(9)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3
InChIKeyPTTMMONNYVLHRZ-UHFFFAOYSA-N
XLogP2.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methyl-1-naphthalen-1-yltetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-naphthalen-1-yltetrazole?
The IUPAC name of 5-methyl-1-naphthalen-1-yltetrazole (CID 59127394) is 5-methyl-1-naphthalen-1-yltetrazole.
What is the SMILES notation for 5-methyl-1-naphthalen-1-yltetrazole?
The canonical SMILES for 5-methyl-1-naphthalen-1-yltetrazole is Cc1nnnn1-c1cccc2ccccc12.
What is the InChIKey of 5-methyl-1-naphthalen-1-yltetrazole?
The InChIKey is PTTMMONNYVLHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-9-13-14-15-16(9)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3.
What are the key properties of 5-methyl-1-naphthalen-1-yltetrazole?
5-methyl-1-naphthalen-1-yltetrazole has a molecular weight of 210.24 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-naphthalen-1-yltetrazole is sourced from PubChem (CID 59127394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).