2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethylacetamide

C11H21N7OS — CID 114235285

IUPAC2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethylacetamide
SMILESCCN(CC)c1nc(NN)nc(SCC(=O)N(C)C)n1
InChIInChI=1S/C11H21N7OS/c1-5-18(6-2)10-13-9(16-12)14-11(15-10)20-7-8(19)17(3)4/h5-7,12H2,1-4H3,(H,13,14,15,16)
InChIKeyNKRLXIJJEPWUNY-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.18
Rot. Bonds7

About 2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethylacetamide

2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethylacetamide (PubChem CID 114235285) has the molecular formula C11H21N7OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethylacetamide
PubChem CID114235285
Molecular FormulaC11H21N7OS
Molecular Weight299.40 g/mol
Exact Mass299.15
IUPAC Name2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethylacetamide
SMILESCCN(CC)c1nc(NN)nc(SCC(=O)N(C)C)n1
InChIInChI=1S/C11H21N7OS/c1-5-18(6-2)10-13-9(16-12)14-11(15-10)20-7-8(19)17(3)4/h5-7,12H2,1-4H3,(H,13,14,15,16)
InChIKeyNKRLXIJJEPWUNY-UHFFFAOYSA-N
XLogP0.18
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-ethylamino]-N-methylacetamide
CID 80900599
N,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine
CID 80925981
ethyl 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]acetate
CID 80923874
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 60626717
N,N-diethyl-4-hydrazinyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
CID 106497966
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80930075
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-ethylamino]ethanol
CID 80899174
N,N-diethyl-4-hydrazinyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80925367
N,N-diethyl-4-hydrazinyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80931247
4-N,4-N-diethyl-6-hydrazinyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 106332376
4-N-butyl-2-N,2-N-diethyl-6-hydrazinyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80916617
2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
CID 55125502

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethylacetamide (CID 114235285) is 2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethylacetamide is CCN(CC)c1nc(NN)nc(SCC(=O)N(C)C)n1.
What is the InChIKey of 2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethylacetamide?
The InChIKey is NKRLXIJJEPWUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N7OS/c1-5-18(6-2)10-13-9(16-12)14-11(15-10)20-7-8(19)17(3)4/h5-7,12H2,1-4H3,(H,13,14,15,16).
What are the key properties of 2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethylacetamide?
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethylacetamide has a molecular weight of 299.40 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethylacetamide is sourced from PubChem (CID 114235285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).