[1,2,4]triazino[5,6-c]quinolin-3-amine

C10H7N5 — CID 6410405

IUPAC[1,2,4]triazino[5,6-c]quinolin-3-amine
SMILESNc1nnc2c(cnc3ccccc32)n1
InChIInChI=1S/C10H7N5/c11-10-13-8-5-12-7-4-2-1-3-6(7)9(8)14-15-10/h1-5H,(H2,11,13,15)
InChIKeyHPTDUGRASPFLEE-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.16
Rot. Bonds

About [1,2,4]triazino[5,6-c]quinolin-3-amine

[1,2,4]triazino[5,6-c]quinolin-3-amine (PubChem CID 6410405) has the molecular formula C10H7N5 and a molecular weight of 197.20 g/mol. Its IUPAC name is [1,2,4]triazino[5,6-c]quinolin-3-amine.

Molecular Properties

Compound Name[1,2,4]triazino[5,6-c]quinolin-3-amine
PubChem CID6410405
Molecular FormulaC10H7N5
Molecular Weight197.20 g/mol
Exact Mass197.07
IUPAC Name[1,2,4]triazino[5,6-c]quinolin-3-amine
SMILESNc1nnc2c(cnc3ccccc32)n1
InChIInChI=1S/C10H7N5/c11-10-13-8-5-12-7-4-2-1-3-6(7)9(8)14-15-10/h1-5H,(H2,11,13,15)
InChIKeyHPTDUGRASPFLEE-UHFFFAOYSA-N
XLogP1.16
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1,2,4]triazino[5,6-c]quinolin-3-amine?
The IUPAC name of [1,2,4]triazino[5,6-c]quinolin-3-amine (CID 6410405) is [1,2,4]triazino[5,6-c]quinolin-3-amine.
What is the SMILES notation for [1,2,4]triazino[5,6-c]quinolin-3-amine?
The canonical SMILES for [1,2,4]triazino[5,6-c]quinolin-3-amine is Nc1nnc2c(cnc3ccccc32)n1.
What is the InChIKey of [1,2,4]triazino[5,6-c]quinolin-3-amine?
The InChIKey is HPTDUGRASPFLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5/c11-10-13-8-5-12-7-4-2-1-3-6(7)9(8)14-15-10/h1-5H,(H2,11,13,15).
What are the key properties of [1,2,4]triazino[5,6-c]quinolin-3-amine?
[1,2,4]triazino[5,6-c]quinolin-3-amine has a molecular weight of 197.20 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,4]triazino[5,6-c]quinolin-3-amine is sourced from PubChem (CID 6410405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).