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

C14H19N7O — CID 3119592

IUPACN-benzyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNNc1nc(NCc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H19N7O/c15-20-13-17-12(16-10-11-4-2-1-3-5-11)18-14(19-13)21-6-8-22-9-7-21/h1-5H,6-10,15H2,(H2,16,17,18,19,20)
InChIKeyANLZHCFUERYHGD-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.61
Rot. Bonds5

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

N-benzyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 3119592) has the molecular formula C14H19N7O and a molecular weight of 301.35 g/mol. Its IUPAC name is N-benzyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID3119592
Molecular FormulaC14H19N7O
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC NameN-benzyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNNc1nc(NCc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H19N7O/c15-20-13-17-12(16-10-11-4-2-1-3-5-11)18-14(19-13)21-6-8-22-9-7-21/h1-5H,6-10,15H2,(H2,16,17,18,19,20)
InChIKeyANLZHCFUERYHGD-UHFFFAOYSA-N
XLogP0.61
TPSA101.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-benzyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 3119592) is N-benzyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-benzyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-benzyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is NNc1nc(NCc2ccccc2)nc(N2CCOCC2)n1.
What is the InChIKey of N-benzyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is ANLZHCFUERYHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O/c15-20-13-17-12(16-10-11-4-2-1-3-5-11)18-14(19-13)21-6-8-22-9-7-21/h1-5H,6-10,15H2,(H2,16,17,18,19,20).
What are the key properties of N-benzyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
N-benzyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 301.35 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 3119592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).