N-benzyl-4-hydrazinyl-6-methyl-1,3,5-triazin-2-amine

C11H14N6 — CID 767984

IUPACN-benzyl-4-hydrazinyl-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(NN)nc(NCc2ccccc2)n1
InChIInChI=1S/C11H14N6/c1-8-14-10(16-11(15-8)17-12)13-7-9-5-3-2-4-6-9/h2-6H,7,12H2,1H3,(H2,13,14,15,16,17)
InChIKeyYAOKCXGYFUKHBL-UHFFFAOYSA-N
MW230.28 g/mol
LogP1.08
Rot. Bonds4

About N-benzyl-4-hydrazinyl-6-methyl-1,3,5-triazin-2-amine

N-benzyl-4-hydrazinyl-6-methyl-1,3,5-triazin-2-amine (PubChem CID 767984) has the molecular formula C11H14N6 and a molecular weight of 230.28 g/mol. Its IUPAC name is N-benzyl-4-hydrazinyl-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-hydrazinyl-6-methyl-1,3,5-triazin-2-amine
PubChem CID767984
Molecular FormulaC11H14N6
Molecular Weight230.28 g/mol
Exact Mass230.13
IUPAC NameN-benzyl-4-hydrazinyl-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(NN)nc(NCc2ccccc2)n1
InChIInChI=1S/C11H14N6/c1-8-14-10(16-11(15-8)17-12)13-7-9-5-3-2-4-6-9/h2-6H,7,12H2,1H3,(H2,13,14,15,16,17)
InChIKeyYAOKCXGYFUKHBL-UHFFFAOYSA-N
XLogP1.08
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 N-benzyl-4-hydrazinyl-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of N-benzyl-4-hydrazinyl-6-methyl-1,3,5-triazin-2-amine (CID 767984) is N-benzyl-4-hydrazinyl-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-benzyl-4-hydrazinyl-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-benzyl-4-hydrazinyl-6-methyl-1,3,5-triazin-2-amine is Cc1nc(NN)nc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-4-hydrazinyl-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is YAOKCXGYFUKHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c1-8-14-10(16-11(15-8)17-12)13-7-9-5-3-2-4-6-9/h2-6H,7,12H2,1H3,(H2,13,14,15,16,17).
What are the key properties of N-benzyl-4-hydrazinyl-6-methyl-1,3,5-triazin-2-amine?
N-benzyl-4-hydrazinyl-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 230.28 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-hydrazinyl-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 767984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).