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

C9H18N6OS — CID 80911461

IUPAC4-hydrazinyl-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(NCCSC)n1
InChIInChI=1S/C9H18N6OS/c1-3-5-16-9-13-7(11-4-6-17-2)12-8(14-9)15-10/h3-6,10H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyJZNLDZBTMMKTKJ-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.72
Rot. Bonds8

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

4-hydrazinyl-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80911461) has the molecular formula C9H18N6OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 4-hydrazinyl-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80911461
Molecular FormulaC9H18N6OS
Molecular Weight258.35 g/mol
Exact Mass258.13
IUPAC Name4-hydrazinyl-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(NCCSC)n1
InChIInChI=1S/C9H18N6OS/c1-3-5-16-9-13-7(11-4-6-17-2)12-8(14-9)15-10/h3-6,10H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyJZNLDZBTMMKTKJ-UHFFFAOYSA-N
XLogP0.72
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine
CID 80932221
N-(2-ethoxyethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80906653
1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106249090
N-[3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]propyl]methanesulfonamide
CID 106332444
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
(4-tert-butylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80925478
3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,2-diol
CID 80922470
1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol
CID 106294543
4-ethoxy-6-hydrazinyl-N-(3-propoxypropyl)-1,3,5-triazin-2-amine
CID 82947451
4-hydrazinyl-N-(2-methoxypropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 102701967
4-hydrazinyl-6-propoxy-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazin-2-amine
CID 106327660

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazin-2-amine (CID 80911461) is 4-hydrazinyl-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NN)nc(NCCSC)n1.
What is the InChIKey of 4-hydrazinyl-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is JZNLDZBTMMKTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6OS/c1-3-5-16-9-13-7(11-4-6-17-2)12-8(14-9)15-10/h3-6,10H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of 4-hydrazinyl-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazin-2-amine?
4-hydrazinyl-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 258.35 g/mol, XLogP of 0.72, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80911461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).