2-N,2-N,4-N,4-N-tetraethyl-6-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine

C17H25N7O2 — CID 2837385

IUPAC2-N,2-N,4-N,4-N-tetraethyl-6-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(Nc2ccc([N+](=O)[O-])cc2)nc(N(CC)CC)n1
InChIInChI=1S/C17H25N7O2/c1-5-22(6-2)16-19-15(20-17(21-16)23(7-3)8-4)18-13-9-11-14(12-10-13)24(25)26/h9-12H,5-8H2,1-4H3,(H,18,19,20,21)
InChIKeyBTLPXFFYNJUWKE-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.22
Rot. Bonds9

About 2-N,2-N,4-N,4-N-tetraethyl-6-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N,4-N,4-N-tetraethyl-6-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 2837385) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N-tetraethyl-6-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N-tetraethyl-6-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID2837385
Molecular FormulaC17H25N7O2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC Name2-N,2-N,4-N,4-N-tetraethyl-6-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(Nc2ccc([N+](=O)[O-])cc2)nc(N(CC)CC)n1
InChIInChI=1S/C17H25N7O2/c1-5-22(6-2)16-19-15(20-17(21-16)23(7-3)8-4)18-13-9-11-14(12-10-13)24(25)26/h9-12H,5-8H2,1-4H3,(H,18,19,20,21)
InChIKeyBTLPXFFYNJUWKE-UHFFFAOYSA-N
XLogP3.22
TPSA100.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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,4-N,4-N-tetraethyl-6-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N,4-N-tetraethyl-6-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine (CID 2837385) is 2-N,2-N,4-N,4-N-tetraethyl-6-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N-tetraethyl-6-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N,4-N-tetraethyl-6-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(Nc2ccc([N+](=O)[O-])cc2)nc(N(CC)CC)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N-tetraethyl-6-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is BTLPXFFYNJUWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O2/c1-5-22(6-2)16-19-15(20-17(21-16)23(7-3)8-4)18-13-9-11-14(12-10-13)24(25)26/h9-12H,5-8H2,1-4H3,(H,18,19,20,21).
What are the key properties of 2-N,2-N,4-N,4-N-tetraethyl-6-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N,4-N-tetraethyl-6-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 359.43 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N-tetraethyl-6-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 2837385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).