5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine

C9H11FN6 — CID 115749946

IUPAC5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
SMILESCC(Nc1ncc(F)cn1)c1nncn1C
InChIInChI=1S/C9H11FN6/c1-6(8-15-13-5-16(8)2)14-9-11-3-7(10)4-12-9/h3-6H,1-2H3,(H,11,12,14)
InChIKeyCVJMVFSPZXWFLO-UHFFFAOYSA-N
MW222.23 g/mol
LogP0.92
Rot. Bonds3

About 5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine

5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine (PubChem CID 115749946) has the molecular formula C9H11FN6 and a molecular weight of 222.23 g/mol. Its IUPAC name is 5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
PubChem CID115749946
Molecular FormulaC9H11FN6
Molecular Weight222.23 g/mol
Exact Mass222.10
IUPAC Name5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
SMILESCC(Nc1ncc(F)cn1)c1nncn1C
InChIInChI=1S/C9H11FN6/c1-6(8-15-13-5-16(8)2)14-9-11-3-7(10)4-12-9/h3-6H,1-2H3,(H,11,12,14)
InChIKeyCVJMVFSPZXWFLO-UHFFFAOYSA-N
XLogP0.92
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine 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 5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine (CID 115749946) is 5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine is CC(Nc1ncc(F)cn1)c1nncn1C.
What is the InChIKey of 5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
The InChIKey is CVJMVFSPZXWFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN6/c1-6(8-15-13-5-16(8)2)14-9-11-3-7(10)4-12-9/h3-6H,1-2H3,(H,11,12,14).
What are the key properties of 5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine has a molecular weight of 222.23 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 115749946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).