5-methyl-9-nitro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine

C10H8N6O2 — CID 121215796

IUPAC5-methyl-9-nitro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine
SMILESCc1nc2ccc([N+](=O)[O-])cc2c2nc(N)nn12
InChIInChI=1S/C10H8N6O2/c1-5-12-8-3-2-6(16(17)18)4-7(8)9-13-10(11)14-15(5)9/h2-4H,1H3,(H2,11,14)
InChIKeyNPNJURPIWNWVBF-UHFFFAOYSA-N
MW244.21 g/mol
LogP1.08
Rot. Bonds1

About 5-methyl-9-nitro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine

5-methyl-9-nitro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine (PubChem CID 121215796) has the molecular formula C10H8N6O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is 5-methyl-9-nitro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine.

Molecular Properties

Compound Name5-methyl-9-nitro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine
PubChem CID121215796
Molecular FormulaC10H8N6O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC Name5-methyl-9-nitro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine
SMILESCc1nc2ccc([N+](=O)[O-])cc2c2nc(N)nn12
InChIInChI=1S/C10H8N6O2/c1-5-12-8-3-2-6(16(17)18)4-7(8)9-13-10(11)14-15(5)9/h2-4H,1H3,(H2,11,14)
InChIKeyNPNJURPIWNWVBF-UHFFFAOYSA-N
XLogP1.08
TPSA112.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 51.08
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 5-methyl-9-nitro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine?
The IUPAC name of 5-methyl-9-nitro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine (CID 121215796) is 5-methyl-9-nitro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine.
What is the SMILES notation for 5-methyl-9-nitro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine?
The canonical SMILES for 5-methyl-9-nitro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine is Cc1nc2ccc([N+](=O)[O-])cc2c2nc(N)nn12.
What is the InChIKey of 5-methyl-9-nitro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine?
The InChIKey is NPNJURPIWNWVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O2/c1-5-12-8-3-2-6(16(17)18)4-7(8)9-13-10(11)14-15(5)9/h2-4H,1H3,(H2,11,14).
What are the key properties of 5-methyl-9-nitro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine?
5-methyl-9-nitro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine has a molecular weight of 244.21 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-9-nitro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine is sourced from PubChem (CID 121215796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).