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

C10H17F3N6O — CID 115523299

IUPAC4-hydrazinyl-6-propoxy-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(NCCCC(F)(F)F)n1
InChIInChI=1S/C10H17F3N6O/c1-2-6-20-9-17-7(16-8(18-9)19-14)15-5-3-4-10(11,12)13/h2-6,14H2,1H3,(H2,15,16,17,18,19)
InChIKeyLPUQNCHYTCFBDO-UHFFFAOYSA-N
MW294.28 g/mol
LogP1.70
Rot. Bonds8

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

4-hydrazinyl-6-propoxy-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine (PubChem CID 115523299) has the molecular formula C10H17F3N6O and a molecular weight of 294.28 g/mol. Its IUPAC name is 4-hydrazinyl-6-propoxy-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-propoxy-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine
PubChem CID115523299
Molecular FormulaC10H17F3N6O
Molecular Weight294.28 g/mol
Exact Mass294.14
IUPAC Name4-hydrazinyl-6-propoxy-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(NCCCC(F)(F)F)n1
InChIInChI=1S/C10H17F3N6O/c1-2-6-20-9-17-7(16-8(18-9)19-14)15-5-3-4-10(11,12)13/h2-6,14H2,1H3,(H2,15,16,17,18,19)
InChIKeyLPUQNCHYTCFBDO-UHFFFAOYSA-N
XLogP1.70
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 51.70
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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Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-propoxy-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-6-propoxy-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine (CID 115523299) is 4-hydrazinyl-6-propoxy-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-propoxy-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-propoxy-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine is CCCOc1nc(NN)nc(NCCCC(F)(F)F)n1.
What is the InChIKey of 4-hydrazinyl-6-propoxy-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine?
The InChIKey is LPUQNCHYTCFBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N6O/c1-2-6-20-9-17-7(16-8(18-9)19-14)15-5-3-4-10(11,12)13/h2-6,14H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 4-hydrazinyl-6-propoxy-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine?
4-hydrazinyl-6-propoxy-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine has a molecular weight of 294.28 g/mol, XLogP of 1.70, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-propoxy-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 115523299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).