1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol

C12H20N8O — CID 106294518

IUPAC1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1nc(NN)nc(-n2ccnc2)n1
InChIInChI=1S/C12H20N8O/c1-3-4-12(2,21)7-15-9-16-10(19-13)18-11(17-9)20-6-5-14-8-20/h5-6,8,21H,3-4,7,13H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyAOYCADLNXSVMJM-UHFFFAOYSA-N
MW292.35 g/mol
LogP0.31
Rot. Bonds7

About 1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol

1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol (PubChem CID 106294518) has the molecular formula C12H20N8O and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol
PubChem CID106294518
Molecular FormulaC12H20N8O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC Name1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1nc(NN)nc(-n2ccnc2)n1
InChIInChI=1S/C12H20N8O/c1-3-4-12(2,21)7-15-9-16-10(19-13)18-11(17-9)20-6-5-14-8-20/h5-6,8,21H,3-4,7,13H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyAOYCADLNXSVMJM-UHFFFAOYSA-N
XLogP0.31
TPSA126.80 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-2-ol
CID 80914978
1-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpentan-2-ol
CID 106296305
4-hydrazinyl-6-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80943000
3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80944977
N'-ethyl-N-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-N'-methylethane-1,2-diamine
CID 80919698
N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80911395
2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 80898376
4-hydrazinyl-6-imidazol-1-yl-N,N-dipropyl-1,3,5-triazin-2-amine
CID 80931860
2-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-1,1-dimethylhydrazine
CID 83027475
4-hydrazinyl-6-imidazol-1-yl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine
CID 113464289
N-hexan-3-yl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80908114
1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol
CID 106294543

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol (CID 106294518) is 1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol is CCCC(C)(O)CNc1nc(NN)nc(-n2ccnc2)n1.
What is the InChIKey of 1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol?
The InChIKey is AOYCADLNXSVMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8O/c1-3-4-12(2,21)7-15-9-16-10(19-13)18-11(17-9)20-6-5-14-8-20/h5-6,8,21H,3-4,7,13H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol?
1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol has a molecular weight of 292.35 g/mol, XLogP of 0.31, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol is sourced from PubChem (CID 106294518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).