N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoropyrimidin-4-amine

C9H11FN6 — CID 106303904

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoropyrimidin-4-amine
SMILESCCn1cnnc1CNc1cc(F)ncn1
InChIInChI=1S/C9H11FN6/c1-2-16-6-14-15-9(16)4-11-8-3-7(10)12-5-13-8/h3,5-6H,2,4H2,1H3,(H,11,12,13)
InChIKeyLCJGERFUSAFJKQ-UHFFFAOYSA-N
MW222.23 g/mol
LogP0.84
Rot. Bonds4

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoropyrimidin-4-amine

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoropyrimidin-4-amine (PubChem CID 106303904) has the molecular formula C9H11FN6 and a molecular weight of 222.23 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoropyrimidin-4-amine
PubChem CID106303904
Molecular FormulaC9H11FN6
Molecular Weight222.23 g/mol
Exact Mass222.10
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoropyrimidin-4-amine
SMILESCCn1cnnc1CNc1cc(F)ncn1
InChIInChI=1S/C9H11FN6/c1-2-16-6-14-15-9(16)4-11-8-3-7(10)12-5-13-8/h3,5-6H,2,4H2,1H3,(H,11,12,13)
InChIKeyLCJGERFUSAFJKQ-UHFFFAOYSA-N
XLogP0.84
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoropyrimidin-4-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 N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoropyrimidin-4-amine?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoropyrimidin-4-amine (CID 106303904) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoropyrimidin-4-amine.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoropyrimidin-4-amine?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoropyrimidin-4-amine is CCn1cnnc1CNc1cc(F)ncn1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoropyrimidin-4-amine?
The InChIKey is LCJGERFUSAFJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN6/c1-2-16-6-14-15-9(16)4-11-8-3-7(10)12-5-13-8/h3,5-6H,2,4H2,1H3,(H,11,12,13).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoropyrimidin-4-amine?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoropyrimidin-4-amine has a molecular weight of 222.23 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoropyrimidin-4-amine is sourced from PubChem (CID 106303904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).