4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine

C11H22N6O — CID 80932221

IUPAC4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCCCNc1nc(NN)nc(OCCC)n1
InChIInChI=1S/C11H22N6O/c1-3-5-6-7-13-9-14-10(17-12)16-11(15-9)18-8-4-2/h3-8,12H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyCTVFYODTBOAOCO-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.55
Rot. Bonds9

About 4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine

4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80932221) has the molecular formula C11H22N6O and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80932221
Molecular FormulaC11H22N6O
Molecular Weight254.34 g/mol
Exact Mass254.19
IUPAC Name4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCCCNc1nc(NN)nc(OCCC)n1
InChIInChI=1S/C11H22N6O/c1-3-5-6-7-13-9-14-10(17-12)16-11(15-9)18-8-4-2/h3-8,12H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyCTVFYODTBOAOCO-UHFFFAOYSA-N
XLogP1.55
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.55
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-(5-methylhexyl)-6-propoxy-1,3,5-triazin-2-amine
CID 115327810
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
4-ethoxy-6-hydrazinyl-N-(3-propoxypropyl)-1,3,5-triazin-2-amine
CID 82947451
2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80812604
5-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107324376
4-hydrazinyl-N-(2-methoxypropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 102701967
6-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855305
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

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine (CID 80932221) is 4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine is CCCCCNc1nc(NN)nc(OCCC)n1.
What is the InChIKey of 4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is CTVFYODTBOAOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O/c1-3-5-6-7-13-9-14-10(17-12)16-11(15-9)18-8-4-2/h3-8,12H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine?
4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 254.34 g/mol, XLogP of 1.55, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80932221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).