2-N-cyclohexyl-6-hydrazinyl-4-N-phenyl-1,3,5-triazine-2,4-diamine

C15H21N7 — CID 56687990

IUPAC2-N-cyclohexyl-6-hydrazinyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESNNc1nc(Nc2ccccc2)nc(NC2CCCCC2)n1
InChIInChI=1S/C15H21N7/c16-22-15-20-13(17-11-7-3-1-4-8-11)19-14(21-15)18-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10,16H2,(H3,17,18,19,20,21,22)
InChIKeySXHDCZFOZRUCDA-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.65
Rot. Bonds5

About 2-N-cyclohexyl-6-hydrazinyl-4-N-phenyl-1,3,5-triazine-2,4-diamine

2-N-cyclohexyl-6-hydrazinyl-4-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 56687990) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-N-cyclohexyl-6-hydrazinyl-4-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-6-hydrazinyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID56687990
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name2-N-cyclohexyl-6-hydrazinyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESNNc1nc(Nc2ccccc2)nc(NC2CCCCC2)n1
InChIInChI=1S/C15H21N7/c16-22-15-20-13(17-11-7-3-1-4-8-11)19-14(21-15)18-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10,16H2,(H3,17,18,19,20,21,22)
InChIKeySXHDCZFOZRUCDA-UHFFFAOYSA-N
XLogP2.65
TPSA100.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-cyclohexyl-6-hydrazinyl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-6-hydrazinyl-4-N-phenyl-1,3,5-triazine-2,4-diamine (CID 56687990) is 2-N-cyclohexyl-6-hydrazinyl-4-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-6-hydrazinyl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-6-hydrazinyl-4-N-phenyl-1,3,5-triazine-2,4-diamine is NNc1nc(Nc2ccccc2)nc(NC2CCCCC2)n1.
What is the InChIKey of 2-N-cyclohexyl-6-hydrazinyl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SXHDCZFOZRUCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7/c16-22-15-20-13(17-11-7-3-1-4-8-11)19-14(21-15)18-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10,16H2,(H3,17,18,19,20,21,22).
What are the key properties of 2-N-cyclohexyl-6-hydrazinyl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
2-N-cyclohexyl-6-hydrazinyl-4-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 299.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-6-hydrazinyl-4-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 56687990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).