4-hydrazinyl-6-propoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine

C12H18N6OS — CID 80943280

IUPAC4-hydrazinyl-6-propoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(NCCc2cccs2)n1
InChIInChI=1S/C12H18N6OS/c1-2-7-19-12-16-10(15-11(17-12)18-13)14-6-5-9-4-3-8-20-9/h3-4,8H,2,5-7,13H2,1H3,(H2,14,15,16,17,18)
InChIKeyNJGGHXDPIHLFNJ-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.66
Rot. Bonds8

About 4-hydrazinyl-6-propoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine

4-hydrazinyl-6-propoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine (PubChem CID 80943280) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-hydrazinyl-6-propoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-propoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine
PubChem CID80943280
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name4-hydrazinyl-6-propoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(NCCc2cccs2)n1
InChIInChI=1S/C12H18N6OS/c1-2-7-19-12-16-10(15-11(17-12)18-13)14-6-5-9-4-3-8-20-9/h3-4,8H,2,5-7,13H2,1H3,(H2,14,15,16,17,18)
InChIKeyNJGGHXDPIHLFNJ-UHFFFAOYSA-N
XLogP1.66
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.66
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-hydrazinyl-6-propoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-hydrazinyl-6-methoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine
CID 80943741
4-propoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873586
4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine
CID 80932221
N-ethyl-4-methoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873852
N-(2-ethoxyethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80906653
4-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 80918972
4-hydrazinyl-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 80911461
4-ethoxy-6-hydrazinyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
CID 80930219
4-ethoxy-N-methyl-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873581
4-hydrazinyl-6-propoxy-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine
CID 115523299
4-N-methyl-2-N-(2-phenylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80772443
4-hydrazinyl-N-(5-methylhexyl)-6-propoxy-1,3,5-triazin-2-amine
CID 115327810

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-propoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-6-propoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine (CID 80943280) is 4-hydrazinyl-6-propoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-propoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-propoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine is CCCOc1nc(NN)nc(NCCc2cccs2)n1.
What is the InChIKey of 4-hydrazinyl-6-propoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine?
The InChIKey is NJGGHXDPIHLFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-2-7-19-12-16-10(15-11(17-12)18-13)14-6-5-9-4-3-8-20-9/h3-4,8H,2,5-7,13H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 4-hydrazinyl-6-propoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine?
4-hydrazinyl-6-propoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine has a molecular weight of 294.38 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-propoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80943280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).