2-[4-[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanol

C12H24N8O — CID 107226852

IUPAC2-[4-[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanol
SMILESCN(C)c1nc(NN)nc(N2CCCN(CCO)CC2)n1
InChIInChI=1S/C12H24N8O/c1-18(2)11-14-10(17-13)15-12(16-11)20-5-3-4-19(6-7-20)8-9-21/h21H,3-9,13H2,1-2H3,(H,14,15,16,17)
InChIKeySHLOTUAFIAQKCX-UHFFFAOYSA-N
MW296.38 g/mol
LogP-1.27
Rot. Bonds5

About 2-[4-[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanol

2-[4-[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanol (PubChem CID 107226852) has the molecular formula C12H24N8O and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-[4-[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanol
PubChem CID107226852
Molecular FormulaC12H24N8O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name2-[4-[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanol
SMILESCN(C)c1nc(NN)nc(N2CCCN(CCO)CC2)n1
InChIInChI=1S/C12H24N8O/c1-18(2)11-14-10(17-13)15-12(16-11)20-5-3-4-19(6-7-20)8-9-21/h21H,3-9,13H2,1-2H3,(H,14,15,16,17)
InChIKeySHLOTUAFIAQKCX-UHFFFAOYSA-N
XLogP-1.27
TPSA106.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 5-1.27
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'}

Analyze 2-[4-[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanone
CID 80901624
2-[4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol
CID 80898063
1-[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]piperidin-3-ol
CID 80906673
4-hydrazinyl-N,N-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazin-2-amine
CID 80905207
2-[4-(2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
CID 107226843
2-N,4-N,4-N-trimethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80764986
2-[4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
CID 107226856
4-(2-azaspiro[4.4]nonan-2-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 114279647
N-(cyclopropylmethyl)-4-hydrazinyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80899275
4-hydrazinyl-N,N-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine
CID 80905094
4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80767336
[1-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol
CID 80793310

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanol (CID 107226852) is 2-[4-[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanol is CN(C)c1nc(NN)nc(N2CCCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanol?
The InChIKey is SHLOTUAFIAQKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N8O/c1-18(2)11-14-10(17-13)15-12(16-11)20-5-3-4-19(6-7-20)8-9-21/h21H,3-9,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of 2-[4-[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanol?
2-[4-[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanol has a molecular weight of 296.38 g/mol, XLogP of -1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 107226852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).