4-amino-6-anilino-N'-phenyl-1,3,5-triazine-2-carbohydrazide

C16H15N7O — CID 72725317

IUPAC4-amino-6-anilino-N'-phenyl-1,3,5-triazine-2-carbohydrazide
SMILESNc1nc(Nc2ccccc2)nc(C(=O)NNc2ccccc2)n1
InChIInChI=1S/C16H15N7O/c17-15-19-13(14(24)23-22-12-9-5-2-6-10-12)20-16(21-15)18-11-7-3-1-4-8-11/h1-10,22H,(H,23,24)(H3,17,18,19,20,21)
InChIKeyYAYHMTUJHDPACB-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.95
Rot. Bonds5

About 4-amino-6-anilino-N'-phenyl-1,3,5-triazine-2-carbohydrazide

4-amino-6-anilino-N'-phenyl-1,3,5-triazine-2-carbohydrazide (PubChem CID 72725317) has the molecular formula C16H15N7O and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-amino-6-anilino-N'-phenyl-1,3,5-triazine-2-carbohydrazide.

Molecular Properties

Compound Name4-amino-6-anilino-N'-phenyl-1,3,5-triazine-2-carbohydrazide
PubChem CID72725317
Molecular FormulaC16H15N7O
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name4-amino-6-anilino-N'-phenyl-1,3,5-triazine-2-carbohydrazide
SMILESNc1nc(Nc2ccccc2)nc(C(=O)NNc2ccccc2)n1
InChIInChI=1S/C16H15N7O/c17-15-19-13(14(24)23-22-12-9-5-2-6-10-12)20-16(21-15)18-11-7-3-1-4-8-11/h1-10,22H,(H,23,24)(H3,17,18,19,20,21)
InChIKeyYAYHMTUJHDPACB-UHFFFAOYSA-N
XLogP1.95
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-anilino-N'-phenyl-1,3,5-triazine-2-carbohydrazide?
The IUPAC name of 4-amino-6-anilino-N'-phenyl-1,3,5-triazine-2-carbohydrazide (CID 72725317) is 4-amino-6-anilino-N'-phenyl-1,3,5-triazine-2-carbohydrazide.
What is the SMILES notation for 4-amino-6-anilino-N'-phenyl-1,3,5-triazine-2-carbohydrazide?
The canonical SMILES for 4-amino-6-anilino-N'-phenyl-1,3,5-triazine-2-carbohydrazide is Nc1nc(Nc2ccccc2)nc(C(=O)NNc2ccccc2)n1.
What is the InChIKey of 4-amino-6-anilino-N'-phenyl-1,3,5-triazine-2-carbohydrazide?
The InChIKey is YAYHMTUJHDPACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O/c17-15-19-13(14(24)23-22-12-9-5-2-6-10-12)20-16(21-15)18-11-7-3-1-4-8-11/h1-10,22H,(H,23,24)(H3,17,18,19,20,21).
What are the key properties of 4-amino-6-anilino-N'-phenyl-1,3,5-triazine-2-carbohydrazide?
4-amino-6-anilino-N'-phenyl-1,3,5-triazine-2-carbohydrazide has a molecular weight of 321.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-anilino-N'-phenyl-1,3,5-triazine-2-carbohydrazide is sourced from PubChem (CID 72725317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).