5-methyl-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine

C17H16N6O — CID 6412700

IUPAC5-methyl-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESC/C(=N/Nc1nnc2c3ccccc3n(C)c2n1)c1ccc(C)o1
InChIInChI=1S/C17H16N6O/c1-10-8-9-14(24-10)11(2)19-21-17-18-16-15(20-22-17)12-6-4-5-7-13(12)23(16)3/h4-9H,1-3H3,(H,18,21,22)/b19-11-
InChIKeyCHHCFTPLTGREBD-ODLFYWEKSA-N
MW320.36 g/mol
LogP3.25
Rot. Bonds3

About 5-methyl-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine

5-methyl-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine (PubChem CID 6412700) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 5-methyl-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine.

Molecular Properties

Compound Name5-methyl-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine
PubChem CID6412700
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name5-methyl-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESC/C(=N/Nc1nnc2c3ccccc3n(C)c2n1)c1ccc(C)o1
InChIInChI=1S/C17H16N6O/c1-10-8-9-14(24-10)11(2)19-21-17-18-16-15(20-22-17)12-6-4-5-7-13(12)23(16)3/h4-9H,1-3H3,(H,18,21,22)/b19-11-
InChIKeyCHHCFTPLTGREBD-ODLFYWEKSA-N
XLogP3.25
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine?
The IUPAC name of 5-methyl-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine (CID 6412700) is 5-methyl-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine.
What is the SMILES notation for 5-methyl-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine?
The canonical SMILES for 5-methyl-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine is C/C(=N/Nc1nnc2c3ccccc3n(C)c2n1)c1ccc(C)o1.
What is the InChIKey of 5-methyl-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine?
The InChIKey is CHHCFTPLTGREBD-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H16N6O/c1-10-8-9-14(24-10)11(2)19-21-17-18-16-15(20-22-17)12-6-4-5-7-13(12)23(16)3/h4-9H,1-3H3,(H,18,21,22)/b19-11-.
What are the key properties of 5-methyl-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine?
5-methyl-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine has a molecular weight of 320.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine is sourced from PubChem (CID 6412700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).