CID 71440217

C5H6N5Se — CID 71440217

IUPAC—
SMILES[H]/[Se]=c1\[nH]c(N)nc2nc[nH]c12
InChIInChI=1S/C5H6N5Se/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1,11H,(H,7,8)(H3,6,9,10)
InChIKeyUAFSBEDDKSNOCR-UHFFFAOYSA-N
MW215.10 g/mol
LogP-0.70
Rot. Bonds

About CID 71440217

CID 71440217 (PubChem CID 71440217) has the molecular formula C5H6N5Se and a molecular weight of 215.10 g/mol.

Molecular Properties

Compound NameCID 71440217
PubChem CID71440217
Molecular FormulaC5H6N5Se
Molecular Weight215.10 g/mol
Exact Mass215.98
IUPAC Name—
SMILES[H]/[Se]=c1\[nH]c(N)nc2nc[nH]c12
InChIInChI=1S/C5H6N5Se/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1,11H,(H,7,8)(H3,6,9,10)
InChIKeyUAFSBEDDKSNOCR-UHFFFAOYSA-N
XLogP-0.70
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.10
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 71440216
CID 71440216
2-amino-1,7-dihydropurin-6-one;dihydrochloride
CID 140978979
magnesium;2-amino-1,7-dihydropurin-6-one;dichloride
CID 174866452
2-amino-1,7-dihydropurin-6-one;copper;dihydrate
CID 139263394
bis(2-amino-1,7-dihydropurin-6-one);trihydrate;dihydroiodide
CID 135724792
2-amino-1,7-dihydropurin-6-one;methoxymethane
CID 170791174
2-amino-1,7-dihydropurin-6-one;2-sulfanylacetic acid
CID 157072098
2-amino-1,7-dihydropurin-6-one;anthracene-9,10-dione
CID 136626730
2-chloro-7H-purin-6-amine;2-chloro-7H-purin-8-amine
CID 159573001
6-amino-1,7-dihydropurin-2-one;hydrochloride
CID 67634855
7-hydrazinyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 14530463
2-amino-1,7-dihydropurin-6-one;phosphoric acid;7H-purin-6-amine
CID 172703090

Frequently Asked Questions

What is the IUPAC name of CID 71440217?
The IUPAC name of CID 71440217 (CID 71440217) is not available.
What is the SMILES notation for CID 71440217?
The canonical SMILES for CID 71440217 is [H]/[Se]=c1\[nH]c(N)nc2nc[nH]c12.
What is the InChIKey of CID 71440217?
The InChIKey is UAFSBEDDKSNOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N5Se/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1,11H,(H,7,8)(H3,6,9,10).
What are the key properties of CID 71440217?
CID 71440217 has a molecular weight of 215.10 g/mol, XLogP of -0.70, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71440217 is sourced from PubChem (CID 71440217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).