2-methyl-5-(3-nitrophenyl)tetrazole

C8H7N5O2 — CID 14045086

IUPAC2-methyl-5-(3-nitrophenyl)tetrazole
SMILESCn1nnc(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C8H7N5O2/c1-12-10-8(9-11-12)6-3-2-4-7(5-6)13(14)15/h2-5H,1H3
InChIKeyNHHGYZUVVIVJSO-UHFFFAOYSA-N
MW205.18 g/mol
LogP0.79
Rot. Bonds2

About 2-methyl-5-(3-nitrophenyl)tetrazole

2-methyl-5-(3-nitrophenyl)tetrazole (PubChem CID 14045086) has the molecular formula C8H7N5O2 and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-methyl-5-(3-nitrophenyl)tetrazole.

Molecular Properties

Compound Name2-methyl-5-(3-nitrophenyl)tetrazole
PubChem CID14045086
Molecular FormulaC8H7N5O2
Molecular Weight205.18 g/mol
Exact Mass205.06
IUPAC Name2-methyl-5-(3-nitrophenyl)tetrazole
SMILESCn1nnc(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C8H7N5O2/c1-12-10-8(9-11-12)6-3-2-4-7(5-6)13(14)15/h2-5H,1H3
InChIKeyNHHGYZUVVIVJSO-UHFFFAOYSA-N
XLogP0.79
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methyl-5-(3-nitrophenyl)tetrazole 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 2-methyl-5-(3-nitrophenyl)tetrazole?
The IUPAC name of 2-methyl-5-(3-nitrophenyl)tetrazole (CID 14045086) is 2-methyl-5-(3-nitrophenyl)tetrazole.
What is the SMILES notation for 2-methyl-5-(3-nitrophenyl)tetrazole?
The canonical SMILES for 2-methyl-5-(3-nitrophenyl)tetrazole is Cn1nnc(-c2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of 2-methyl-5-(3-nitrophenyl)tetrazole?
The InChIKey is NHHGYZUVVIVJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2/c1-12-10-8(9-11-12)6-3-2-4-7(5-6)13(14)15/h2-5H,1H3.
What are the key properties of 2-methyl-5-(3-nitrophenyl)tetrazole?
2-methyl-5-(3-nitrophenyl)tetrazole has a molecular weight of 205.18 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-nitrophenyl)tetrazole is sourced from PubChem (CID 14045086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).