2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide

C11H17N9O — CID 80898376

IUPAC2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1nc(NN)nc(-n2ccnc2)n1
InChIInChI=1S/C11H17N9O/c1-7(2)15-8(21)5-14-9-16-10(19-12)18-11(17-9)20-4-3-13-6-20/h3-4,6-7H,5,12H2,1-2H3,(H,15,21)(H2,14,16,17,18,19)
InChIKeyLKZRRKPUENZKTH-UHFFFAOYSA-N
MW291.32 g/mol
LogP-0.72
Rot. Bonds6

About 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide

2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide (PubChem CID 80898376) has the molecular formula C11H17N9O and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
PubChem CID80898376
Molecular FormulaC11H17N9O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1nc(NN)nc(-n2ccnc2)n1
InChIInChI=1S/C11H17N9O/c1-7(2)15-8(21)5-14-9-16-10(19-12)18-11(17-9)20-4-3-13-6-20/h3-4,6-7H,5,12H2,1-2H3,(H,15,21)(H2,14,16,17,18,19)
InChIKeyLKZRRKPUENZKTH-UHFFFAOYSA-N
XLogP-0.72
TPSA135.67 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 5-0.72
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 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide with MolForge

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Launch Full Analysis

Related Compounds

2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 62864217
2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
CID 106347620
N-ethyl-2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide
CID 80786781
3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80944977
1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-2-ol
CID 80914978
4-hydrazinyl-6-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80943000
N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80911395
N-tert-butyl-2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]acetamide
CID 115356878
1-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol
CID 106294518
2-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-1,1-dimethylhydrazine
CID 83027475
N'-ethyl-N-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-N'-methylethane-1,2-diamine
CID 80919698
4-hydrazinyl-6-imidazol-1-yl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine
CID 113464289

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide (CID 80898376) is 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1nc(NN)nc(-n2ccnc2)n1.
What is the InChIKey of 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is LKZRRKPUENZKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N9O/c1-7(2)15-8(21)5-14-9-16-10(19-12)18-11(17-9)20-4-3-13-6-20/h3-4,6-7H,5,12H2,1-2H3,(H,15,21)(H2,14,16,17,18,19).
What are the key properties of 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide?
2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 291.32 g/mol, XLogP of -0.72, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 80898376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).