N-[3-(furan-2-yl)prop-2-enylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine

C16H12N6O — CID 6614471

IUPACN-[3-(furan-2-yl)prop-2-enylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESC(=Cc1ccco1)C=NNc1nnc2c(n1)[nH]c1ccccc12
InChIInChI=1S/C16H12N6O/c1-2-8-13-12(7-1)14-15(18-13)19-16(22-20-14)21-17-9-3-5-11-6-4-10-23-11/h1-10H,(H2,18,19,21,22)
InChIKeyQWNMINFAORNMIJ-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.21
Rot. Bonds4

About N-[3-(furan-2-yl)prop-2-enylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine

N-[3-(furan-2-yl)prop-2-enylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine (PubChem CID 6614471) has the molecular formula C16H12N6O and a molecular weight of 304.31 g/mol. Its IUPAC name is N-[3-(furan-2-yl)prop-2-enylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine.

Molecular Properties

Compound NameN-[3-(furan-2-yl)prop-2-enylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
PubChem CID6614471
Molecular FormulaC16H12N6O
Molecular Weight304.31 g/mol
Exact Mass304.11
IUPAC NameN-[3-(furan-2-yl)prop-2-enylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESC(=Cc1ccco1)C=NNc1nnc2c(n1)[nH]c1ccccc12
InChIInChI=1S/C16H12N6O/c1-2-8-13-12(7-1)14-15(18-13)19-16(22-20-14)21-17-9-3-5-11-6-4-10-23-11/h1-10H,(H2,18,19,21,22)
InChIKeyQWNMINFAORNMIJ-UHFFFAOYSA-N
XLogP3.21
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[3-(furan-2-yl)prop-2-enylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The IUPAC name of N-[3-(furan-2-yl)prop-2-enylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine (CID 6614471) is N-[3-(furan-2-yl)prop-2-enylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine.
What is the SMILES notation for N-[3-(furan-2-yl)prop-2-enylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The canonical SMILES for N-[3-(furan-2-yl)prop-2-enylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine is C(=Cc1ccco1)C=NNc1nnc2c(n1)[nH]c1ccccc12.
What is the InChIKey of N-[3-(furan-2-yl)prop-2-enylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The InChIKey is QWNMINFAORNMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O/c1-2-8-13-12(7-1)14-15(18-13)19-16(22-20-14)21-17-9-3-5-11-6-4-10-23-11/h1-10H,(H2,18,19,21,22).
What are the key properties of N-[3-(furan-2-yl)prop-2-enylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine?
N-[3-(furan-2-yl)prop-2-enylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine has a molecular weight of 304.31 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)prop-2-enylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine is sourced from PubChem (CID 6614471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).