3-fluoro-N-[(3-methylimidazol-4-yl)methyl]pyrazin-2-amine

C9H10FN5 — CID 164648165

IUPAC3-fluoro-N-[(3-methylimidazol-4-yl)methyl]pyrazin-2-amine
SMILESCn1cncc1CNc1nccnc1F
InChIInChI=1S/C9H10FN5/c1-15-6-11-4-7(15)5-14-9-8(10)12-2-3-13-9/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyKGQYTPADQQTQHZ-UHFFFAOYSA-N
MW207.21 g/mol
LogP0.96
Rot. Bonds3

About 3-fluoro-N-[(3-methylimidazol-4-yl)methyl]pyrazin-2-amine

3-fluoro-N-[(3-methylimidazol-4-yl)methyl]pyrazin-2-amine (PubChem CID 164648165) has the molecular formula C9H10FN5 and a molecular weight of 207.21 g/mol. Its IUPAC name is 3-fluoro-N-[(3-methylimidazol-4-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-[(3-methylimidazol-4-yl)methyl]pyrazin-2-amine
PubChem CID164648165
Molecular FormulaC9H10FN5
Molecular Weight207.21 g/mol
Exact Mass207.09
IUPAC Name3-fluoro-N-[(3-methylimidazol-4-yl)methyl]pyrazin-2-amine
SMILESCn1cncc1CNc1nccnc1F
InChIInChI=1S/C9H10FN5/c1-15-6-11-4-7(15)5-14-9-8(10)12-2-3-13-9/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyKGQYTPADQQTQHZ-UHFFFAOYSA-N
XLogP0.96
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-N-[(3-methylimidazol-4-yl)methyl]pyrazin-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 3-fluoro-N-[(3-methylimidazol-4-yl)methyl]pyrazin-2-amine?
The IUPAC name of 3-fluoro-N-[(3-methylimidazol-4-yl)methyl]pyrazin-2-amine (CID 164648165) is 3-fluoro-N-[(3-methylimidazol-4-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 3-fluoro-N-[(3-methylimidazol-4-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 3-fluoro-N-[(3-methylimidazol-4-yl)methyl]pyrazin-2-amine is Cn1cncc1CNc1nccnc1F.
What is the InChIKey of 3-fluoro-N-[(3-methylimidazol-4-yl)methyl]pyrazin-2-amine?
The InChIKey is KGQYTPADQQTQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5/c1-15-6-11-4-7(15)5-14-9-8(10)12-2-3-13-9/h2-4,6H,5H2,1H3,(H,13,14).
What are the key properties of 3-fluoro-N-[(3-methylimidazol-4-yl)methyl]pyrazin-2-amine?
3-fluoro-N-[(3-methylimidazol-4-yl)methyl]pyrazin-2-amine has a molecular weight of 207.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(3-methylimidazol-4-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 164648165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).