4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine

C11H23N7S — CID 113467023

IUPAC4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NN)nc(NCC(C)SC)n1
InChIInChI=1S/C11H23N7S/c1-5-18(6-2)11-15-9(13-7-8(3)19-4)14-10(16-11)17-12/h8H,5-7,12H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyGEJRRHRQYGQVJA-UHFFFAOYSA-N
MW285.42 g/mol
LogP1.17
Rot. Bonds8

About 4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine

4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 113467023) has the molecular formula C11H23N7S and a molecular weight of 285.42 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID113467023
Molecular FormulaC11H23N7S
Molecular Weight285.42 g/mol
Exact Mass285.17
IUPAC Name4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NN)nc(NCC(C)SC)n1
InChIInChI=1S/C11H23N7S/c1-5-18(6-2)11-15-9(13-7-8(3)19-4)14-10(16-11)17-12/h8H,5-7,12H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyGEJRRHRQYGQVJA-UHFFFAOYSA-N
XLogP1.17
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

1-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol
CID 107159869
4-N-(2,3-dimethylbutyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80825421
4-N,4-N-diethyl-6-hydrazinyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 106332376
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80906358
2-N,2-N-diethyl-4-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 80833177
4-N,4-N-diethyl-6-hydrazinyl-2-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80906512
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methyl-2-propan-2-ylbutyl)-1,3,5-triazine-2,4-diamine
CID 102909000
3-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
CID 106358407
N,N-diethyl-4-hydrazinyl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
CID 80922713
4-butan-2-yloxy-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80917408
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-ethylamino]ethanol
CID 80899174
4-N-(1-cyclopropylethyl)-2-N,2-N-diethyl-6-hydrazinyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80906389

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine (CID 113467023) is 4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(NN)nc(NCC(C)SC)n1.
What is the InChIKey of 4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GEJRRHRQYGQVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N7S/c1-5-18(6-2)11-15-9(13-7-8(3)19-4)14-10(16-11)17-12/h8H,5-7,12H2,1-4H3,(H2,13,14,15,16,17).
What are the key properties of 4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine?
4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 285.42 g/mol, XLogP of 1.17, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 113467023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).