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

C13H17N7O — CID 790037

IUPAC4-hydrazinyl-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
SMILESNNc1nc(Nc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H17N7O/c14-19-12-16-11(15-10-4-2-1-3-5-10)17-13(18-12)20-6-8-21-9-7-20/h1-5H,6-9,14H2,(H2,15,16,17,18,19)
InChIKeyYDTLHKWHMIBBOM-UHFFFAOYSA-N
MW287.33 g/mol
LogP0.74
Rot. Bonds4

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

4-hydrazinyl-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine (PubChem CID 790037) has the molecular formula C13H17N7O and a molecular weight of 287.33 g/mol. Its IUPAC name is 4-hydrazinyl-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
PubChem CID790037
Molecular FormulaC13H17N7O
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Name4-hydrazinyl-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
SMILESNNc1nc(Nc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H17N7O/c14-19-12-16-11(15-10-4-2-1-3-5-10)17-13(18-12)20-6-8-21-9-7-20/h1-5H,6-9,14H2,(H2,15,16,17,18,19)
InChIKeyYDTLHKWHMIBBOM-UHFFFAOYSA-N
XLogP0.74
TPSA101.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 50.74
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 4-hydrazinyl-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine (CID 790037) is 4-hydrazinyl-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine is NNc1nc(Nc2ccccc2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-hydrazinyl-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine?
The InChIKey is YDTLHKWHMIBBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O/c14-19-12-16-11(15-10-4-2-1-3-5-10)17-13(18-12)20-6-8-21-9-7-20/h1-5H,6-9,14H2,(H2,15,16,17,18,19).
What are the key properties of 4-hydrazinyl-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine?
4-hydrazinyl-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine has a molecular weight of 287.33 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 790037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).