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

C13H21N7S — CID 80901070

IUPAC4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NN)nc(NCCc2ccsc2)n1
InChIInChI=1S/C13H21N7S/c1-3-20(4-2)13-17-11(16-12(18-13)19-14)15-7-5-10-6-8-21-9-10/h6,8-9H,3-5,7,14H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyKSNAUSJAJMBWEX-UHFFFAOYSA-N
MW307.43 g/mol
LogP1.72
Rot. Bonds8

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

4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80901070) has the molecular formula C13H21N7S and a molecular weight of 307.43 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80901070
Molecular FormulaC13H21N7S
Molecular Weight307.43 g/mol
Exact Mass307.16
IUPAC Name4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NN)nc(NCCc2ccsc2)n1
InChIInChI=1S/C13H21N7S/c1-3-20(4-2)13-17-11(16-12(18-13)19-14)15-7-5-10-6-8-21-9-10/h6,8-9H,3-5,7,14H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyKSNAUSJAJMBWEX-UHFFFAOYSA-N
XLogP1.72
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 51.72
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-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N,2-N-diethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 80801144
6-N-ethyl-2-N,2-N-dimethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 80800490
4-N,4-N-diethyl-6-hydrazinyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80907702
4-N,4-N-diethyl-6-hydrazinyl-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80904735
4-[2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 80898444
6-chloro-2-N,2-N-diethyl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 62870223
4-hydrazinyl-6-imidazol-1-yl-N-(thiophen-3-ylmethyl)-1,3,5-triazin-2-amine
CID 80914496
N-(2-thiophen-3-ylethyl)-2H-tetrazol-5-amine
CID 164652701
6-methyl-2-(2-thiophen-3-ylethylamino)pyrimidine-4-carboxylic acid
CID 107553518
6-hydrazinyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
CID 80897852
4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine
CID 113467023
N,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine
CID 80925981

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine (CID 80901070) is 4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(NN)nc(NCCc2ccsc2)n1.
What is the InChIKey of 4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KSNAUSJAJMBWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7S/c1-3-20(4-2)13-17-11(16-12(18-13)19-14)15-7-5-10-6-8-21-9-10/h6,8-9H,3-5,7,14H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine?
4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 307.43 g/mol, XLogP of 1.72, 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-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80901070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).