ethanol;7H-purine

C7H10N4O — CID 134205486

IUPACethanol;7H-purine
SMILESCCO.c1ncc2[nH]cnc2n1
InChIInChI=1S/C5H4N4.C2H6O/c1-4-5(8-2-6-1)9-3-7-4;1-2-3/h1-3H,(H,6,7,8,9);3H,2H2,1H3
InChIKeyVOJIQCAVDJAYHT-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.35
Rot. Bonds

About ethanol;7H-purine

ethanol;7H-purine (PubChem CID 134205486) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is ethanol;7H-purine.

Molecular Properties

Compound Nameethanol;7H-purine
PubChem CID134205486
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Nameethanol;7H-purine
SMILESCCO.c1ncc2[nH]cnc2n1
InChIInChI=1S/C5H4N4.C2H6O/c1-4-5(8-2-6-1)9-3-7-4;1-2-3/h1-3H,(H,6,7,8,9);3H,2H2,1H3
InChIKeyVOJIQCAVDJAYHT-UHFFFAOYSA-N
XLogP0.35
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7H-purine;trihydrochloride
CID 141012213
2-hydroxyethyl(trimethyl)azanium;7H-purine;chloride
CID 174898105
2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine
CID 159888694
dihydroxy(oxo)phosphanium;7H-purine
CID 23509246
7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane
CID 23072308
gold;7H-purine;pyrimidine
CID 160695672
adamantane;7H-purine
CID 175120168
7H-purine thiocyanate
CID 19026223
7H-purine;pyridazine
CID 159359816
phenylmethoxymethylbenzene;7H-purine
CID 71212113
piperazine;7H-purine;pyridazine
CID 174875966
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);phosphoric acid;7H-purine
CID 159643932

Frequently Asked Questions

What is the IUPAC name of ethanol;7H-purine?
The IUPAC name of ethanol;7H-purine (CID 134205486) is ethanol;7H-purine.
What is the SMILES notation for ethanol;7H-purine?
The canonical SMILES for ethanol;7H-purine is CCO.c1ncc2[nH]cnc2n1.
What is the InChIKey of ethanol;7H-purine?
The InChIKey is VOJIQCAVDJAYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4.C2H6O/c1-4-5(8-2-6-1)9-3-7-4;1-2-3/h1-3H,(H,6,7,8,9);3H,2H2,1H3.
What are the key properties of ethanol;7H-purine?
ethanol;7H-purine has a molecular weight of 166.18 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;7H-purine is sourced from PubChem (CID 134205486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).