6-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

C14H15N7O3 — CID 134117140

IUPAC6-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCN(CC=C)c1nc(N)nc(/N=C/c2ccc([N+](=O)[O-])o2)n1
InChIInChI=1S/C14H15N7O3/c1-3-7-20(8-4-2)14-18-12(15)17-13(19-14)16-9-10-5-6-11(24-10)21(22)23/h3-6,9H,1-2,7-8H2,(H2,15,17,18,19)/b16-9+
InChIKeyXJDKTGATEUYEBP-CXUHLZMHSA-N
MW329.32 g/mol
LogP1.88
Rot. Bonds8

About 6-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

6-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 134117140) has the molecular formula C14H15N7O3 and a molecular weight of 329.32 g/mol. Its IUPAC name is 6-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID134117140
Molecular FormulaC14H15N7O3
Molecular Weight329.32 g/mol
Exact Mass329.12
IUPAC Name6-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCN(CC=C)c1nc(N)nc(/N=C/c2ccc([N+](=O)[O-])o2)n1
InChIInChI=1S/C14H15N7O3/c1-3-7-20(8-4-2)14-18-12(15)17-13(19-14)16-9-10-5-6-11(24-10)21(22)23/h3-6,9H,1-2,7-8H2,(H2,15,17,18,19)/b16-9+
InChIKeyXJDKTGATEUYEBP-CXUHLZMHSA-N
XLogP1.88
TPSA136.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (CID 134117140) is 6-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is C=CCN(CC=C)c1nc(N)nc(/N=C/c2ccc([N+](=O)[O-])o2)n1.
What is the InChIKey of 6-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is XJDKTGATEUYEBP-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H15N7O3/c1-3-7-20(8-4-2)14-18-12(15)17-13(19-14)16-9-10-5-6-11(24-10)21(22)23/h3-6,9H,1-2,7-8H2,(H2,15,17,18,19)/b16-9+.
What are the key properties of 6-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
6-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 329.32 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 134117140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).