N-(3-ethoxypropyl)-5-(2-fluorophenyl)-1,2,4-triazin-3-amine

C14H17FN4O — CID 25461028

IUPACN-(3-ethoxypropyl)-5-(2-fluorophenyl)-1,2,4-triazin-3-amine
SMILESCCOCCCNc1nncc(-c2ccccc2F)n1
InChIInChI=1S/C14H17FN4O/c1-2-20-9-5-8-16-14-18-13(10-17-19-14)11-6-3-4-7-12(11)15/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,16,18,19)
InChIKeyBBIINIZLICFLMN-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.52
Rot. Bonds7

About N-(3-ethoxypropyl)-5-(2-fluorophenyl)-1,2,4-triazin-3-amine

N-(3-ethoxypropyl)-5-(2-fluorophenyl)-1,2,4-triazin-3-amine (PubChem CID 25461028) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5-(2-fluorophenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5-(2-fluorophenyl)-1,2,4-triazin-3-amine
PubChem CID25461028
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC NameN-(3-ethoxypropyl)-5-(2-fluorophenyl)-1,2,4-triazin-3-amine
SMILESCCOCCCNc1nncc(-c2ccccc2F)n1
InChIInChI=1S/C14H17FN4O/c1-2-20-9-5-8-16-14-18-13(10-17-19-14)11-6-3-4-7-12(11)15/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,16,18,19)
InChIKeyBBIINIZLICFLMN-UHFFFAOYSA-N
XLogP2.52
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-5-(2-fluorophenyl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(3-ethoxypropyl)-5-(2-fluorophenyl)-1,2,4-triazin-3-amine (CID 25461028) is N-(3-ethoxypropyl)-5-(2-fluorophenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-5-(2-fluorophenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(3-ethoxypropyl)-5-(2-fluorophenyl)-1,2,4-triazin-3-amine is CCOCCCNc1nncc(-c2ccccc2F)n1.
What is the InChIKey of N-(3-ethoxypropyl)-5-(2-fluorophenyl)-1,2,4-triazin-3-amine?
The InChIKey is BBIINIZLICFLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-2-20-9-5-8-16-14-18-13(10-17-19-14)11-6-3-4-7-12(11)15/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,16,18,19).
What are the key properties of N-(3-ethoxypropyl)-5-(2-fluorophenyl)-1,2,4-triazin-3-amine?
N-(3-ethoxypropyl)-5-(2-fluorophenyl)-1,2,4-triazin-3-amine has a molecular weight of 276.31 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5-(2-fluorophenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 25461028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).