N-cyclobutyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C9H13N9 — CID 80918885

IUPACN-cyclobutyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESNNc1nc(NC2CCC2)nc(-n2cncn2)n1
InChIInChI=1S/C9H13N9/c10-17-8-14-7(13-6-2-1-3-6)15-9(16-8)18-5-11-4-12-18/h4-6H,1-3,10H2,(H2,13,14,15,16,17)
InChIKeyVEJYPLYPLRMZII-UHFFFAOYSA-N
MW247.27 g/mol
LogP-0.30
Rot. Bonds4

About N-cyclobutyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

N-cyclobutyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80918885) has the molecular formula C9H13N9 and a molecular weight of 247.27 g/mol. Its IUPAC name is N-cyclobutyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-cyclobutyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80918885
Molecular FormulaC9H13N9
Molecular Weight247.27 g/mol
Exact Mass247.13
IUPAC NameN-cyclobutyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESNNc1nc(NC2CCC2)nc(-n2cncn2)n1
InChIInChI=1S/C9H13N9/c10-17-8-14-7(13-6-2-1-3-6)15-9(16-8)18-5-11-4-12-18/h4-6H,1-3,10H2,(H2,13,14,15,16,17)
InChIKeyVEJYPLYPLRMZII-UHFFFAOYSA-N
XLogP-0.30
TPSA119.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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-cyclobutyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-cyclobutyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 80918885) is N-cyclobutyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-cyclobutyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-cyclobutyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is NNc1nc(NC2CCC2)nc(-n2cncn2)n1.
What is the InChIKey of N-cyclobutyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is VEJYPLYPLRMZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N9/c10-17-8-14-7(13-6-2-1-3-6)15-9(16-8)18-5-11-4-12-18/h4-6H,1-3,10H2,(H2,13,14,15,16,17).
What are the key properties of N-cyclobutyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
N-cyclobutyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 247.27 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80918885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).