N-(3-methylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine

C15H12N6 — CID 1091861

IUPACN-(3-methylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine
SMILESCc1cccc(Nc2nc3ccccc3n3nnnc23)c1
InChIInChI=1S/C15H12N6/c1-10-5-4-6-11(9-10)16-14-15-18-19-20-21(15)13-8-3-2-7-12(13)17-14/h2-9H,1H3,(H,16,17)
InChIKeyPFJPWAHAOJVVLY-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.72
Rot. Bonds2

About N-(3-methylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine

N-(3-methylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine (PubChem CID 1091861) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(3-methylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine
PubChem CID1091861
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC NameN-(3-methylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine
SMILESCc1cccc(Nc2nc3ccccc3n3nnnc23)c1
InChIInChI=1S/C15H12N6/c1-10-5-4-6-11(9-10)16-14-15-18-19-20-21(15)13-8-3-2-7-12(13)17-14/h2-9H,1H3,(H,16,17)
InChIKeyPFJPWAHAOJVVLY-UHFFFAOYSA-N
XLogP2.72
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine?
The IUPAC name of N-(3-methylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine (CID 1091861) is N-(3-methylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine.
What is the SMILES notation for N-(3-methylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine?
The canonical SMILES for N-(3-methylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine is Cc1cccc(Nc2nc3ccccc3n3nnnc23)c1.
What is the InChIKey of N-(3-methylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine?
The InChIKey is PFJPWAHAOJVVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6/c1-10-5-4-6-11(9-10)16-14-15-18-19-20-21(15)13-8-3-2-7-12(13)17-14/h2-9H,1H3,(H,16,17).
What are the key properties of N-(3-methylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine?
N-(3-methylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine has a molecular weight of 276.30 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine is sourced from PubChem (CID 1091861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).