N-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine

C18H16N6O — CID 129438396

IUPACN-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESC/C(C=NNc1nnc2c3ccccc3n(C)c2n1)=C\c1ccco1
InChIInChI=1S/C18H16N6O/c1-12(10-13-6-5-9-25-13)11-19-22-18-20-17-16(21-23-18)14-7-3-4-8-15(14)24(17)2/h3-11H,1-2H3,(H,20,22,23)/b12-10+,19-11?
InChIKeyGGLVZSUBFKMENU-OWJNEIFXSA-N
MW332.37 g/mol
LogP3.61
Rot. Bonds4

About N-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine

N-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine (PubChem CID 129438396) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine.

Molecular Properties

Compound NameN-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine
PubChem CID129438396
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC NameN-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESC/C(C=NNc1nnc2c3ccccc3n(C)c2n1)=C\c1ccco1
InChIInChI=1S/C18H16N6O/c1-12(10-13-6-5-9-25-13)11-19-22-18-20-17-16(21-23-18)14-7-3-4-8-15(14)24(17)2/h3-11H,1-2H3,(H,20,22,23)/b12-10+,19-11?
InChIKeyGGLVZSUBFKMENU-OWJNEIFXSA-N
XLogP3.61
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.61
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 N-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine?
The IUPAC name of N-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine (CID 129438396) is N-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine.
What is the SMILES notation for N-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine?
The canonical SMILES for N-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine is C/C(C=NNc1nnc2c3ccccc3n(C)c2n1)=C\c1ccco1.
What is the InChIKey of N-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine?
The InChIKey is GGLVZSUBFKMENU-OWJNEIFXSA-N. The full InChI is InChI=1S/C18H16N6O/c1-12(10-13-6-5-9-25-13)11-19-22-18-20-17-16(21-23-18)14-7-3-4-8-15(14)24(17)2/h3-11H,1-2H3,(H,20,22,23)/b12-10+,19-11?.
What are the key properties of N-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine?
N-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine has a molecular weight of 332.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine is sourced from PubChem (CID 129438396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).