CID 175082348

C5H5F2N4Se — CID 175082348

IUPAC—
SMILES[H]/N=C(\[Se])N(C(F)F)n1ccnc1
InChIInChI=1S/C5H5F2N4Se/c6-4(7)11(5(8)12)10-2-1-9-3-10/h1-4,8H/b8-5-
InChIKeyNNMQGDLNEKLVSY-YVMONPNESA-N
MW238.08 g/mol
LogP0.15
Rot. Bonds2

About CID 175082348

CID 175082348 (PubChem CID 175082348) has the molecular formula C5H5F2N4Se and a molecular weight of 238.08 g/mol.

Molecular Properties

Compound NameCID 175082348
PubChem CID175082348
Molecular FormulaC5H5F2N4Se
Molecular Weight238.08 g/mol
Exact Mass238.96
IUPAC Name—
SMILES[H]/N=C(\[Se])N(C(F)F)n1ccnc1
InChIInChI=1S/C5H5F2N4Se/c6-4(7)11(5(8)12)10-2-1-9-3-10/h1-4,8H/b8-5-
InChIKeyNNMQGDLNEKLVSY-YVMONPNESA-N
XLogP0.15
TPSA44.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze CID 175082348 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

1-imidazol-1-yl-1-propan-2-ylguanidine
CID 154313337
N,N-dimethylimidazol-1-amine
CID 18994559
imidazole-1-carboximidoyl bromide
CID 89319760
3-imidazol-1-ylbutanimidamide
CID 60914699
N-ethyl-N-methylimidazol-1-amine
CID 174611185
3-methylbutyl imidazole-1-carboximidate
CID 12031764
1-(dibromomethyl)imidazole
CID 175175892
3-hydroxy-4-imidazol-1-ylpyrrolidine-1-carboximidamide
CID 121203994
1-(4-imidazol-1-ylphenyl)ethanimine
CID 167508669
[fluoro(imidazol-1-yl)methyl] thiohypoiodite
CID 162294991
ethenyl 2-hydroxy-3-imidazol-1-ylpropanimidothioate
CID 142092680
ethane;N-(ethenyliminomethyl)-N-methylimidazole-1-carboximidamide
CID 143465984

Frequently Asked Questions

What is the IUPAC name of CID 175082348?
The IUPAC name of CID 175082348 (CID 175082348) is not available.
What is the SMILES notation for CID 175082348?
The canonical SMILES for CID 175082348 is [H]/N=C(\[Se])N(C(F)F)n1ccnc1.
What is the InChIKey of CID 175082348?
The InChIKey is NNMQGDLNEKLVSY-YVMONPNESA-N. The full InChI is InChI=1S/C5H5F2N4Se/c6-4(7)11(5(8)12)10-2-1-9-3-10/h1-4,8H/b8-5-.
What are the key properties of CID 175082348?
CID 175082348 has a molecular weight of 238.08 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175082348 is sourced from PubChem (CID 175082348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).