N'-(4,6-diamino-1,3,5-triazin-2-yl)-1-phenylmethanesulfonohydrazide

C10H13N7O2S — CID 139826147

IUPACN'-(4,6-diamino-1,3,5-triazin-2-yl)-1-phenylmethanesulfonohydrazide
SMILESNc1nc(N)nc(NNS(=O)(=O)Cc2ccccc2)n1
InChIInChI=1S/C10H13N7O2S/c11-8-13-9(12)15-10(14-8)16-17-20(18,19)6-7-4-2-1-3-5-7/h1-5,17H,6H2,(H5,11,12,13,14,15,16)
InChIKeyCRAJYFQYHYARJO-UHFFFAOYSA-N
MW295.33 g/mol
LogP-0.52
Rot. Bonds5

About N'-(4,6-diamino-1,3,5-triazin-2-yl)-1-phenylmethanesulfonohydrazide

N'-(4,6-diamino-1,3,5-triazin-2-yl)-1-phenylmethanesulfonohydrazide (PubChem CID 139826147) has the molecular formula C10H13N7O2S and a molecular weight of 295.33 g/mol. Its IUPAC name is N'-(4,6-diamino-1,3,5-triazin-2-yl)-1-phenylmethanesulfonohydrazide.

Molecular Properties

Compound NameN'-(4,6-diamino-1,3,5-triazin-2-yl)-1-phenylmethanesulfonohydrazide
PubChem CID139826147
Molecular FormulaC10H13N7O2S
Molecular Weight295.33 g/mol
Exact Mass295.09
IUPAC NameN'-(4,6-diamino-1,3,5-triazin-2-yl)-1-phenylmethanesulfonohydrazide
SMILESNc1nc(N)nc(NNS(=O)(=O)Cc2ccccc2)n1
InChIInChI=1S/C10H13N7O2S/c11-8-13-9(12)15-10(14-8)16-17-20(18,19)6-7-4-2-1-3-5-7/h1-5,17H,6H2,(H5,11,12,13,14,15,16)
InChIKeyCRAJYFQYHYARJO-UHFFFAOYSA-N
XLogP-0.52
TPSA148.91 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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 N'-(4,6-diamino-1,3,5-triazin-2-yl)-1-phenylmethanesulfonohydrazide?
The IUPAC name of N'-(4,6-diamino-1,3,5-triazin-2-yl)-1-phenylmethanesulfonohydrazide (CID 139826147) is N'-(4,6-diamino-1,3,5-triazin-2-yl)-1-phenylmethanesulfonohydrazide.
What is the SMILES notation for N'-(4,6-diamino-1,3,5-triazin-2-yl)-1-phenylmethanesulfonohydrazide?
The canonical SMILES for N'-(4,6-diamino-1,3,5-triazin-2-yl)-1-phenylmethanesulfonohydrazide is Nc1nc(N)nc(NNS(=O)(=O)Cc2ccccc2)n1.
What is the InChIKey of N'-(4,6-diamino-1,3,5-triazin-2-yl)-1-phenylmethanesulfonohydrazide?
The InChIKey is CRAJYFQYHYARJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O2S/c11-8-13-9(12)15-10(14-8)16-17-20(18,19)6-7-4-2-1-3-5-7/h1-5,17H,6H2,(H5,11,12,13,14,15,16).
What are the key properties of N'-(4,6-diamino-1,3,5-triazin-2-yl)-1-phenylmethanesulfonohydrazide?
N'-(4,6-diamino-1,3,5-triazin-2-yl)-1-phenylmethanesulfonohydrazide has a molecular weight of 295.33 g/mol, XLogP of -0.52, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-diamino-1,3,5-triazin-2-yl)-1-phenylmethanesulfonohydrazide is sourced from PubChem (CID 139826147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).