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

C10H11N7O — CID 125492704

IUPAC4-amino-6-anilino-1,3,5-triazine-2-carbohydrazide
SMILESNNC(=O)c1nc(N)nc(Nc2ccccc2)n1
InChIInChI=1S/C10H11N7O/c11-9-14-7(8(18)17-12)15-10(16-9)13-6-4-2-1-3-5-6/h1-5H,12H2,(H,17,18)(H3,11,13,14,15,16)
InChIKeyIVWCLBRJCPCKSF-UHFFFAOYSA-N
MW245.25 g/mol
LogP-0.20
Rot. Bonds3

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

4-amino-6-anilino-1,3,5-triazine-2-carbohydrazide (PubChem CID 125492704) has the molecular formula C10H11N7O and a molecular weight of 245.25 g/mol. Its IUPAC name is 4-amino-6-anilino-1,3,5-triazine-2-carbohydrazide.

Molecular Properties

Compound Name4-amino-6-anilino-1,3,5-triazine-2-carbohydrazide
PubChem CID125492704
Molecular FormulaC10H11N7O
Molecular Weight245.25 g/mol
Exact Mass245.10
IUPAC Name4-amino-6-anilino-1,3,5-triazine-2-carbohydrazide
SMILESNNC(=O)c1nc(N)nc(Nc2ccccc2)n1
InChIInChI=1S/C10H11N7O/c11-9-14-7(8(18)17-12)15-10(16-9)13-6-4-2-1-3-5-6/h1-5H,12H2,(H,17,18)(H3,11,13,14,15,16)
InChIKeyIVWCLBRJCPCKSF-UHFFFAOYSA-N
XLogP-0.20
TPSA131.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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-amino-6-anilino-1,3,5-triazine-2-carbohydrazide?
The IUPAC name of 4-amino-6-anilino-1,3,5-triazine-2-carbohydrazide (CID 125492704) is 4-amino-6-anilino-1,3,5-triazine-2-carbohydrazide.
What is the SMILES notation for 4-amino-6-anilino-1,3,5-triazine-2-carbohydrazide?
The canonical SMILES for 4-amino-6-anilino-1,3,5-triazine-2-carbohydrazide is NNC(=O)c1nc(N)nc(Nc2ccccc2)n1.
What is the InChIKey of 4-amino-6-anilino-1,3,5-triazine-2-carbohydrazide?
The InChIKey is IVWCLBRJCPCKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O/c11-9-14-7(8(18)17-12)15-10(16-9)13-6-4-2-1-3-5-6/h1-5H,12H2,(H,17,18)(H3,11,13,14,15,16).
What are the key properties of 4-amino-6-anilino-1,3,5-triazine-2-carbohydrazide?
4-amino-6-anilino-1,3,5-triazine-2-carbohydrazide has a molecular weight of 245.25 g/mol, XLogP of -0.20, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-anilino-1,3,5-triazine-2-carbohydrazide is sourced from PubChem (CID 125492704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).