N-(5-methyl-2-nitrophenyl)-1-(3-methylphenyl)tetrazol-5-amine

C15H14N6O2 — CID 102585565

IUPACN-(5-methyl-2-nitrophenyl)-1-(3-methylphenyl)tetrazol-5-amine
SMILESCc1cccc(-n2nnnc2Nc2cc(C)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H14N6O2/c1-10-4-3-5-12(8-10)20-15(17-18-19-20)16-13-9-11(2)6-7-14(13)21(22)23/h3-9H,1-2H3,(H,16,17,19)
InChIKeyBZUPFYYJZOHUBH-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.93
Rot. Bonds4

About N-(5-methyl-2-nitrophenyl)-1-(3-methylphenyl)tetrazol-5-amine

N-(5-methyl-2-nitrophenyl)-1-(3-methylphenyl)tetrazol-5-amine (PubChem CID 102585565) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is N-(5-methyl-2-nitrophenyl)-1-(3-methylphenyl)tetrazol-5-amine.

Molecular Properties

Compound NameN-(5-methyl-2-nitrophenyl)-1-(3-methylphenyl)tetrazol-5-amine
PubChem CID102585565
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC NameN-(5-methyl-2-nitrophenyl)-1-(3-methylphenyl)tetrazol-5-amine
SMILESCc1cccc(-n2nnnc2Nc2cc(C)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H14N6O2/c1-10-4-3-5-12(8-10)20-15(17-18-19-20)16-13-9-11(2)6-7-14(13)21(22)23/h3-9H,1-2H3,(H,16,17,19)
InChIKeyBZUPFYYJZOHUBH-UHFFFAOYSA-N
XLogP2.93
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-nitrophenyl)-1-(3-methylphenyl)tetrazol-5-amine?
The IUPAC name of N-(5-methyl-2-nitrophenyl)-1-(3-methylphenyl)tetrazol-5-amine (CID 102585565) is N-(5-methyl-2-nitrophenyl)-1-(3-methylphenyl)tetrazol-5-amine.
What is the SMILES notation for N-(5-methyl-2-nitrophenyl)-1-(3-methylphenyl)tetrazol-5-amine?
The canonical SMILES for N-(5-methyl-2-nitrophenyl)-1-(3-methylphenyl)tetrazol-5-amine is Cc1cccc(-n2nnnc2Nc2cc(C)ccc2[N+](=O)[O-])c1.
What is the InChIKey of N-(5-methyl-2-nitrophenyl)-1-(3-methylphenyl)tetrazol-5-amine?
The InChIKey is BZUPFYYJZOHUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2/c1-10-4-3-5-12(8-10)20-15(17-18-19-20)16-13-9-11(2)6-7-14(13)21(22)23/h3-9H,1-2H3,(H,16,17,19).
What are the key properties of N-(5-methyl-2-nitrophenyl)-1-(3-methylphenyl)tetrazol-5-amine?
N-(5-methyl-2-nitrophenyl)-1-(3-methylphenyl)tetrazol-5-amine has a molecular weight of 310.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-nitrophenyl)-1-(3-methylphenyl)tetrazol-5-amine is sourced from PubChem (CID 102585565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).