2-N,2-N-dimethyl-4-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine

C10H12N8O3 — CID 11460541

IUPAC2-N,2-N-dimethyl-4-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(N/N=C/c2ccc([N+](=O)[O-])o2)n1
InChIInChI=1S/C10H12N8O3/c1-17(2)10-14-8(11)13-9(15-10)16-12-5-6-3-4-7(21-6)18(19)20/h3-5H,1-2H3,(H3,11,13,14,15,16)/b12-5+
InChIKeyISWKPNJCJDNVSL-LFYBBSHMSA-N
MW292.26 g/mol
LogP0.47
Rot. Bonds5

About 2-N,2-N-dimethyl-4-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine

2-N,2-N-dimethyl-4-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine (PubChem CID 11460541) has the molecular formula C10H12N8O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
PubChem CID11460541
Molecular FormulaC10H12N8O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name2-N,2-N-dimethyl-4-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(N/N=C/c2ccc([N+](=O)[O-])o2)n1
InChIInChI=1S/C10H12N8O3/c1-17(2)10-14-8(11)13-9(15-10)16-12-5-6-3-4-7(21-6)18(19)20/h3-5H,1-2H3,(H3,11,13,14,15,16)/b12-5+
InChIKeyISWKPNJCJDNVSL-LFYBBSHMSA-N
XLogP0.47
TPSA148.60 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 2-N,2-N-dimethyl-4-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine (CID 11460541) is 2-N,2-N-dimethyl-4-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(N)nc(N/N=C/c2ccc([N+](=O)[O-])o2)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ISWKPNJCJDNVSL-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H12N8O3/c1-17(2)10-14-8(11)13-9(15-10)16-12-5-6-3-4-7(21-6)18(19)20/h3-5H,1-2H3,(H3,11,13,14,15,16)/b12-5+.
What are the key properties of 2-N,2-N-dimethyl-4-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-dimethyl-4-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 292.26 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 11460541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).