CID 175054353

C3H3N4OSe — CID 175054353

IUPAC—
SMILESNC(=O)c1n[nH]nc1[Se]
InChIInChI=1S/C3H3N4OSe/c4-2(8)1-3(9)6-7-5-1/h(H2,4,8)(H,5,6,7)
InChIKeyQOLNMVXCDINIKJ-UHFFFAOYSA-N
MW190.04 g/mol
LogP-2.30
Rot. Bonds1

About CID 175054353

CID 175054353 (PubChem CID 175054353) has the molecular formula C3H3N4OSe and a molecular weight of 190.04 g/mol.

Molecular Properties

Compound NameCID 175054353
PubChem CID175054353
Molecular FormulaC3H3N4OSe
Molecular Weight190.04 g/mol
Exact Mass190.95
IUPAC Name—
SMILESNC(=O)c1n[nH]nc1[Se]
InChIInChI=1S/C3H3N4OSe/c4-2(8)1-3(9)6-7-5-1/h(H2,4,8)(H,5,6,7)
InChIKeyQOLNMVXCDINIKJ-UHFFFAOYSA-N
XLogP-2.30
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 5-2.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

sodium 5-carbamoyl-2H-triazol-4-olate
CID 6414543
5-(3,5-dihydroxyphenyl)-2H-triazole-4-carboxamide
CID 169402317
5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide
CID 169402046
5-(2,4,5-trifluorophenyl)-2H-triazole-4-carboxamide
CID 169402152
5-(4-methylanilino)-2H-triazole-4-carboxamide
CID 45496899
5-(4-cyanophenyl)-2H-triazole-4-carboxamide
CID 169401962
5-(4-bromo-2-fluoro-5-iodophenyl)-2H-triazole-4-carboxamide
CID 169404931
5-[2-fluoro-4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402175
5-(4-morpholin-4-ylphenyl)-2H-triazole-4-carboxamide
CID 169402181
5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402103
5-(2,3-dimethylphenyl)-2H-triazole-4-carboxamide
CID 169402107
5-(3,6-dichloro-2-fluorophenyl)-2H-triazole-4-carboxamide
CID 169402307

Frequently Asked Questions

What is the IUPAC name of CID 175054353?
The IUPAC name of CID 175054353 (CID 175054353) is not available.
What is the SMILES notation for CID 175054353?
The canonical SMILES for CID 175054353 is NC(=O)c1n[nH]nc1[Se].
What is the InChIKey of CID 175054353?
The InChIKey is QOLNMVXCDINIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N4OSe/c4-2(8)1-3(9)6-7-5-1/h(H2,4,8)(H,5,6,7).
What are the key properties of CID 175054353?
CID 175054353 has a molecular weight of 190.04 g/mol, XLogP of -2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175054353 is sourced from PubChem (CID 175054353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).