6-fluoro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine

C9H8FN5 — CID 10104384

IUPAC6-fluoro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine
SMILESC#CCNc1nc(F)nc(NCC#C)n1
InChIInChI=1S/C9H8FN5/c1-3-5-11-8-13-7(10)14-9(15-8)12-6-4-2/h1-2H,5-6H2,(H2,11,12,13,14,15)
InChIKeyQONUCKMBAQQHRZ-UHFFFAOYSA-N
MW205.20 g/mol
LogP0.10
Rot. Bonds4

About 6-fluoro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine

6-fluoro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine (PubChem CID 10104384) has the molecular formula C9H8FN5 and a molecular weight of 205.20 g/mol. Its IUPAC name is 6-fluoro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-fluoro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine
PubChem CID10104384
Molecular FormulaC9H8FN5
Molecular Weight205.20 g/mol
Exact Mass205.08
IUPAC Name6-fluoro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine
SMILESC#CCNc1nc(F)nc(NCC#C)n1
InChIInChI=1S/C9H8FN5/c1-3-5-11-8-13-7(10)14-9(15-8)12-6-4-2/h1-2H,5-6H2,(H2,11,12,13,14,15)
InChIKeyQONUCKMBAQQHRZ-UHFFFAOYSA-N
XLogP0.10
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-fluoro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-fluoro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine (CID 10104384) is 6-fluoro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-fluoro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-fluoro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine is C#CCNc1nc(F)nc(NCC#C)n1.
What is the InChIKey of 6-fluoro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is QONUCKMBAQQHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN5/c1-3-5-11-8-13-7(10)14-9(15-8)12-6-4-2/h1-2H,5-6H2,(H2,11,12,13,14,15).
What are the key properties of 6-fluoro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine?
6-fluoro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 205.20 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10104384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).