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

C13H26N6O — CID 115327810

IUPAC4-hydrazinyl-N-(5-methylhexyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(NCCCCC(C)C)n1
InChIInChI=1S/C13H26N6O/c1-4-9-20-13-17-11(16-12(18-13)19-14)15-8-6-5-7-10(2)3/h10H,4-9,14H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyUOBGVQVDVWURJF-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.18
Rot. Bonds10

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

4-hydrazinyl-N-(5-methylhexyl)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 115327810) has the molecular formula C13H26N6O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-hydrazinyl-N-(5-methylhexyl)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-N-(5-methylhexyl)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID115327810
Molecular FormulaC13H26N6O
Molecular Weight282.39 g/mol
Exact Mass282.22
IUPAC Name4-hydrazinyl-N-(5-methylhexyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(NCCCCC(C)C)n1
InChIInChI=1S/C13H26N6O/c1-4-9-20-13-17-11(16-12(18-13)19-14)15-8-6-5-7-10(2)3/h10H,4-9,14H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyUOBGVQVDVWURJF-UHFFFAOYSA-N
XLogP2.18
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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
[4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80910606
[4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909820
4-hydrazinyl-6-propoxy-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine
CID 115523299
N-(2-ethoxyethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80906653
N-[3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]propyl]methanesulfonamide
CID 106332444
4-hydrazinyl-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 80911461
N-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80861519
4-hydrazinyl-N-(2-methoxypropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 102701967
4-ethoxy-6-hydrazinyl-N-(3-propoxypropyl)-1,3,5-triazin-2-amine
CID 82947451
5-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106138247
2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80812604

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(5-methylhexyl)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-N-(5-methylhexyl)-6-propoxy-1,3,5-triazin-2-amine (CID 115327810) is 4-hydrazinyl-N-(5-methylhexyl)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-N-(5-methylhexyl)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-N-(5-methylhexyl)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NN)nc(NCCCCC(C)C)n1.
What is the InChIKey of 4-hydrazinyl-N-(5-methylhexyl)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is UOBGVQVDVWURJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O/c1-4-9-20-13-17-11(16-12(18-13)19-14)15-8-6-5-7-10(2)3/h10H,4-9,14H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 4-hydrazinyl-N-(5-methylhexyl)-6-propoxy-1,3,5-triazin-2-amine?
4-hydrazinyl-N-(5-methylhexyl)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 2.18, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(5-methylhexyl)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 115327810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).