N-(2-fluoroethoxy)triazin-4-amine

C5H7FN4O — CID 139716629

IUPACN-(2-fluoroethoxy)triazin-4-amine
SMILESFCCONc1ccnnn1
InChIInChI=1S/C5H7FN4O/c6-2-4-11-9-5-1-3-7-10-8-5/h1,3H,2,4H2,(H,7,8,9)
InChIKeyRRWIEOANXUUYGM-UHFFFAOYSA-N
MW158.14 g/mol
LogP0.18
Rot. Bonds4

About N-(2-fluoroethoxy)triazin-4-amine

N-(2-fluoroethoxy)triazin-4-amine (PubChem CID 139716629) has the molecular formula C5H7FN4O and a molecular weight of 158.14 g/mol. Its IUPAC name is N-(2-fluoroethoxy)triazin-4-amine.

Molecular Properties

Compound NameN-(2-fluoroethoxy)triazin-4-amine
PubChem CID139716629
Molecular FormulaC5H7FN4O
Molecular Weight158.14 g/mol
Exact Mass158.06
IUPAC NameN-(2-fluoroethoxy)triazin-4-amine
SMILESFCCONc1ccnnn1
InChIInChI=1S/C5H7FN4O/c6-2-4-11-9-5-1-3-7-10-8-5/h1,3H,2,4H2,(H,7,8,9)
InChIKeyRRWIEOANXUUYGM-UHFFFAOYSA-N
XLogP0.18
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.14
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 N-(2-fluoroethoxy)triazin-4-amine?
The IUPAC name of N-(2-fluoroethoxy)triazin-4-amine (CID 139716629) is N-(2-fluoroethoxy)triazin-4-amine.
What is the SMILES notation for N-(2-fluoroethoxy)triazin-4-amine?
The canonical SMILES for N-(2-fluoroethoxy)triazin-4-amine is FCCONc1ccnnn1.
What is the InChIKey of N-(2-fluoroethoxy)triazin-4-amine?
The InChIKey is RRWIEOANXUUYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN4O/c6-2-4-11-9-5-1-3-7-10-8-5/h1,3H,2,4H2,(H,7,8,9).
What are the key properties of N-(2-fluoroethoxy)triazin-4-amine?
N-(2-fluoroethoxy)triazin-4-amine has a molecular weight of 158.14 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethoxy)triazin-4-amine is sourced from PubChem (CID 139716629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).