4-(3-amino-1,2-dihydro-1,2,4-triazin-6-yl)-2-fluorobenzonitrile

C10H8FN5 — CID 130239584

IUPAC4-(3-amino-1,2-dihydro-1,2,4-triazin-6-yl)-2-fluorobenzonitrile
SMILESN#Cc1ccc(C2=CN=C(N)NN2)cc1F
InChIInChI=1S/C10H8FN5/c11-8-3-6(1-2-7(8)4-12)9-5-14-10(13)16-15-9/h1-3,5,15H,(H3,13,14,16)
InChIKeyPNURNOLGWNGIKI-UHFFFAOYSA-N
MW217.21 g/mol
LogP0.42
Rot. Bonds1

About 4-(3-amino-1,2-dihydro-1,2,4-triazin-6-yl)-2-fluorobenzonitrile

4-(3-amino-1,2-dihydro-1,2,4-triazin-6-yl)-2-fluorobenzonitrile (PubChem CID 130239584) has the molecular formula C10H8FN5 and a molecular weight of 217.21 g/mol. Its IUPAC name is 4-(3-amino-1,2-dihydro-1,2,4-triazin-6-yl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-(3-amino-1,2-dihydro-1,2,4-triazin-6-yl)-2-fluorobenzonitrile
PubChem CID130239584
Molecular FormulaC10H8FN5
Molecular Weight217.21 g/mol
Exact Mass217.08
IUPAC Name4-(3-amino-1,2-dihydro-1,2,4-triazin-6-yl)-2-fluorobenzonitrile
SMILESN#Cc1ccc(C2=CN=C(N)NN2)cc1F
InChIInChI=1S/C10H8FN5/c11-8-3-6(1-2-7(8)4-12)9-5-14-10(13)16-15-9/h1-3,5,15H,(H3,13,14,16)
InChIKeyPNURNOLGWNGIKI-UHFFFAOYSA-N
XLogP0.42
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(3-amino-1,2-dihydro-1,2,4-triazin-6-yl)-2-fluorobenzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-amino-2-fluorobenzonitrile;dihydrofluoride
CID 146317579
5-(4-bromo-3-fluorophenyl)-1H-pyrazole-4-carbonitrile
CID 164945787
4-(6-chloropyrazin-2-yl)-2-fluorobenzonitrile
CID 135293596
4-(6,7-dihydro-1H-indazol-4-yl)-2-fluorobenzonitrile
CID 71114832
2-fluoro-4-[5-(hydroxymethyl)-3-pyridinyl]benzonitrile
CID 135293591
5-(3-amino-1H-pyrazol-5-yl)-2-fluorobenzonitrile
CID 83396217
4-(3,4-dimethoxyphenyl)-2-fluorobenzonitrile
CID 59689087
2-fluoro-4-(furan-2-yl)benzonitrile
CID 130938678
4-[4-[7-[4-(4-cyano-3-fluorophenyl)phenyl]heptyl]phenyl]-2-fluorobenzonitrile
CID 168820275
4-(5-bromo-2-chloropyrimidin-4-yl)-2-fluorobenzonitrile
CID 118142117
4-[6-(dimethylamino)pyrazin-2-yl]-2-fluorobenzonitrile
CID 135293574
2-fluoro-4-(4-propylphenyl)benzonitrile
CID 15085130

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1,2-dihydro-1,2,4-triazin-6-yl)-2-fluorobenzonitrile?
The IUPAC name of 4-(3-amino-1,2-dihydro-1,2,4-triazin-6-yl)-2-fluorobenzonitrile (CID 130239584) is 4-(3-amino-1,2-dihydro-1,2,4-triazin-6-yl)-2-fluorobenzonitrile.
What is the SMILES notation for 4-(3-amino-1,2-dihydro-1,2,4-triazin-6-yl)-2-fluorobenzonitrile?
The canonical SMILES for 4-(3-amino-1,2-dihydro-1,2,4-triazin-6-yl)-2-fluorobenzonitrile is N#Cc1ccc(C2=CN=C(N)NN2)cc1F.
What is the InChIKey of 4-(3-amino-1,2-dihydro-1,2,4-triazin-6-yl)-2-fluorobenzonitrile?
The InChIKey is PNURNOLGWNGIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN5/c11-8-3-6(1-2-7(8)4-12)9-5-14-10(13)16-15-9/h1-3,5,15H,(H3,13,14,16).
What are the key properties of 4-(3-amino-1,2-dihydro-1,2,4-triazin-6-yl)-2-fluorobenzonitrile?
4-(3-amino-1,2-dihydro-1,2,4-triazin-6-yl)-2-fluorobenzonitrile has a molecular weight of 217.21 g/mol, XLogP of 0.42, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1,2-dihydro-1,2,4-triazin-6-yl)-2-fluorobenzonitrile is sourced from PubChem (CID 130239584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).