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

C13H20N6OS — CID 80901076

IUPAC4-hydrazinyl-6-propoxy-N-(1-thiophen-3-ylpropan-2-yl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(NC(C)Cc2ccsc2)n1
InChIInChI=1S/C13H20N6OS/c1-3-5-20-13-17-11(16-12(18-13)19-14)15-9(2)7-10-4-6-21-8-10/h4,6,8-9H,3,5,7,14H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyPHEBWPRPMKJGEC-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.05
Rot. Bonds8

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

4-hydrazinyl-6-propoxy-N-(1-thiophen-3-ylpropan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 80901076) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-hydrazinyl-6-propoxy-N-(1-thiophen-3-ylpropan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-propoxy-N-(1-thiophen-3-ylpropan-2-yl)-1,3,5-triazin-2-amine
PubChem CID80901076
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC Name4-hydrazinyl-6-propoxy-N-(1-thiophen-3-ylpropan-2-yl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(NC(C)Cc2ccsc2)n1
InChIInChI=1S/C13H20N6OS/c1-3-5-20-13-17-11(16-12(18-13)19-14)15-9(2)7-10-4-6-21-8-10/h4,6,8-9H,3,5,7,14H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyPHEBWPRPMKJGEC-UHFFFAOYSA-N
XLogP2.05
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.05
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-(1-thiophen-3-ylpropan-2-yl)-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethylpentan-2-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80911001
[4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909820
4-methoxy-N-(1-thiophen-3-ylpropan-2-yl)pyrimidin-2-amine
CID 112686316
[4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80910606
3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
CID 106358418
N-(1-cyclopentylethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80911202
2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80825223
N-(1-thiophen-3-ylpropan-2-yl)quinazolin-2-amine
CID 114788976
[4-(2-propan-2-yloxyethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80911471
2-N-butan-2-yl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80765920
[4-propoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine
CID 80923867
4-hydrazinyl-N-(2-methoxypropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 102701967

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-propoxy-N-(1-thiophen-3-ylpropan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-6-propoxy-N-(1-thiophen-3-ylpropan-2-yl)-1,3,5-triazin-2-amine (CID 80901076) is 4-hydrazinyl-6-propoxy-N-(1-thiophen-3-ylpropan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-propoxy-N-(1-thiophen-3-ylpropan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-propoxy-N-(1-thiophen-3-ylpropan-2-yl)-1,3,5-triazin-2-amine is CCCOc1nc(NN)nc(NC(C)Cc2ccsc2)n1.
What is the InChIKey of 4-hydrazinyl-6-propoxy-N-(1-thiophen-3-ylpropan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is PHEBWPRPMKJGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-3-5-20-13-17-11(16-12(18-13)19-14)15-9(2)7-10-4-6-21-8-10/h4,6,8-9H,3,5,7,14H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 4-hydrazinyl-6-propoxy-N-(1-thiophen-3-ylpropan-2-yl)-1,3,5-triazin-2-amine?
4-hydrazinyl-6-propoxy-N-(1-thiophen-3-ylpropan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 308.41 g/mol, XLogP of 2.05, 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-(1-thiophen-3-ylpropan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80901076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).