2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide

C11H22N8O2 — CID 80900030

IUPAC2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1nc(NN)nc(N(C)C)n1
InChIInChI=1S/C11H22N8O2/c1-18(2)10-14-9(17-12)15-11(16-10)19(3)7-8(20)13-5-6-21-4/h5-7,12H2,1-4H3,(H,13,20)(H,14,15,16,17)
InChIKeyIVMQMFWZDFOZEJ-UHFFFAOYSA-N
MW298.35 g/mol
LogP-1.58
Rot. Bonds8

About 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide

2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 80900030) has the molecular formula C11H22N8O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID80900030
Molecular FormulaC11H22N8O2
Molecular Weight298.35 g/mol
Exact Mass298.19
IUPAC Name2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1nc(NN)nc(N(C)C)n1
InChIInChI=1S/C11H22N8O2/c1-18(2)10-14-9(17-12)15-11(16-10)19(3)7-8(20)13-5-6-21-4/h5-7,12H2,1-4H3,(H,13,20)(H,14,15,16,17)
InChIKeyIVMQMFWZDFOZEJ-UHFFFAOYSA-N
XLogP-1.58
TPSA121.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[(4,6-dichloro-1,3,5-triazin-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 55023792
2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 80901609
2-[(5-aminopyrazin-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80652005
2-N-ethyl-6-hydrazinyl-2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80896663
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 81132098
2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 64624526
N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide
CID 80902251
2-[(6-carbamothioyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 64587464
3-amino-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]benzoic acid
CID 115934570
2-[(4-chloro-1,2,5-thiadiazol-3-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 60726164
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80987749
2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 80692696

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide (CID 80900030) is 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)c1nc(NN)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is IVMQMFWZDFOZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N8O2/c1-18(2)10-14-9(17-12)15-11(16-10)19(3)7-8(20)13-5-6-21-4/h5-7,12H2,1-4H3,(H,13,20)(H,14,15,16,17).
What are the key properties of 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide?
2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 298.35 g/mol, XLogP of -1.58, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 80900030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).