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

C12H23N7OS — CID 106327660

IUPAC4-hydrazinyl-6-propoxy-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(NCCN2CCSCC2)n1
InChIInChI=1S/C12H23N7OS/c1-2-7-20-12-16-10(15-11(17-12)18-13)14-3-4-19-5-8-21-9-6-19/h2-9,13H2,1H3,(H2,14,15,16,17,18)
InChIKeyUPEUDHSZWKJJRR-UHFFFAOYSA-N
MW313.43 g/mol
LogP0.41
Rot. Bonds8

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

4-hydrazinyl-6-propoxy-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazin-2-amine (PubChem CID 106327660) has the molecular formula C12H23N7OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-hydrazinyl-6-propoxy-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-propoxy-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazin-2-amine
PubChem CID106327660
Molecular FormulaC12H23N7OS
Molecular Weight313.43 g/mol
Exact Mass313.17
IUPAC Name4-hydrazinyl-6-propoxy-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(NCCN2CCSCC2)n1
InChIInChI=1S/C12H23N7OS/c1-2-7-20-12-16-10(15-11(17-12)18-13)14-3-4-19-5-8-21-9-6-19/h2-9,13H2,1H3,(H2,14,15,16,17,18)
InChIKeyUPEUDHSZWKJJRR-UHFFFAOYSA-N
XLogP0.41
TPSA101.22 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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-thiomorpholin-4-ylethyl)-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-N-(2-piperidin-1-ylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80804374
N-(2-ethoxyethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80906653
4-chloro-N-(2-morpholin-4-ylethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62870405
4-hydrazinyl-6-propoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine
CID 80943280
4-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxy-1,3,5-triazin-2-amine
CID 106193903
4-hydrazinyl-6-propoxy-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine
CID 115523299
4-hydrazinyl-N-(5-methylhexyl)-6-propoxy-1,3,5-triazin-2-amine
CID 115327810
6-propan-2-yloxy-2-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 106327513
4-ethoxy-6-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine
CID 106325959
4-ethoxy-6-hydrazinyl-N-(3-propoxypropyl)-1,3,5-triazin-2-amine
CID 82947451
1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol
CID 106294543
3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,2-diol
CID 80922470

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-propoxy-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-6-propoxy-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazin-2-amine (CID 106327660) is 4-hydrazinyl-6-propoxy-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-propoxy-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-propoxy-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazin-2-amine is CCCOc1nc(NN)nc(NCCN2CCSCC2)n1.
What is the InChIKey of 4-hydrazinyl-6-propoxy-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazin-2-amine?
The InChIKey is UPEUDHSZWKJJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N7OS/c1-2-7-20-12-16-10(15-11(17-12)18-13)14-3-4-19-5-8-21-9-6-19/h2-9,13H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 4-hydrazinyl-6-propoxy-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazin-2-amine?
4-hydrazinyl-6-propoxy-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazin-2-amine has a molecular weight of 313.43 g/mol, XLogP of 0.41, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-propoxy-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 106327660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).