6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine

C8H9FN6 — CID 106282738

IUPAC6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1cc(F)ncn1)c1ncn[nH]1
InChIInChI=1S/C8H9FN6/c1-5(8-12-4-13-15-8)14-7-2-6(9)10-3-11-7/h2-5H,1H3,(H,10,11,14)(H,12,13,15)
InChIKeyVTEYMHPRLCQSSI-UHFFFAOYSA-N
MW208.20 g/mol
LogP0.91
Rot. Bonds3

About 6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine

6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 106282738) has the molecular formula C8H9FN6 and a molecular weight of 208.20 g/mol. Its IUPAC name is 6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID106282738
Molecular FormulaC8H9FN6
Molecular Weight208.20 g/mol
Exact Mass208.09
IUPAC Name6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1cc(F)ncn1)c1ncn[nH]1
InChIInChI=1S/C8H9FN6/c1-5(8-12-4-13-15-8)14-7-2-6(9)10-3-11-7/h2-5H,1H3,(H,10,11,14)(H,12,13,15)
InChIKeyVTEYMHPRLCQSSI-UHFFFAOYSA-N
XLogP0.91
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine (CID 106282738) is 6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine is CC(Nc1cc(F)ncn1)c1ncn[nH]1.
What is the InChIKey of 6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is VTEYMHPRLCQSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN6/c1-5(8-12-4-13-15-8)14-7-2-6(9)10-3-11-7/h2-5H,1H3,(H,10,11,14)(H,12,13,15).
What are the key properties of 6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine has a molecular weight of 208.20 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106282738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).