2-hydroxyethyl(trimethyl)azanium;7H-purine;chloride

C10H18ClN5O — CID 174898105

IUPAC2-hydroxyethyl(trimethyl)azanium;7H-purine;chloride
SMILESC[N+](C)(C)CCO.[Cl-].c1ncc2[nH]cnc2n1
InChIInChI=1S/C5H4N4.C5H14NO.ClH/c1-4-5(8-2-6-1)9-3-7-4;1-6(2,3)4-5-7;/h1-3H,(H,6,7,8,9);7H,4-5H2,1-3H3;1H/q;+1;/p-1
InChIKeyHTIZYOOMOAGFTQ-UHFFFAOYSA-M
MW259.74 g/mol
LogP-2.96
Rot. Bonds2

About 2-hydroxyethyl(trimethyl)azanium;7H-purine;chloride

2-hydroxyethyl(trimethyl)azanium;7H-purine;chloride (PubChem CID 174898105) has the molecular formula C10H18ClN5O and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium;7H-purine;chloride.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium;7H-purine;chloride
PubChem CID174898105
Molecular FormulaC10H18ClN5O
Molecular Weight259.74 g/mol
Exact Mass259.12
IUPAC Name2-hydroxyethyl(trimethyl)azanium;7H-purine;chloride
SMILESC[N+](C)(C)CCO.[Cl-].c1ncc2[nH]cnc2n1
InChIInChI=1S/C5H4N4.C5H14NO.ClH/c1-4-5(8-2-6-1)9-3-7-4;1-6(2,3)4-5-7;/h1-3H,(H,6,7,8,9);7H,4-5H2,1-3H3;1H/q;+1;/p-1
InChIKeyHTIZYOOMOAGFTQ-UHFFFAOYSA-M
XLogP-2.96
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 5-2.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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CID 134205486
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CID 159888694
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dihydroxy(oxo)phosphanium;7H-purine
CID 23509246
7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane
CID 23072308
gold;7H-purine;pyrimidine
CID 160695672
7H-purine;pyridazine
CID 159359816
adamantane;7H-purine
CID 175120168
7H-purine thiocyanate
CID 19026223
piperazine;7H-purine;pyridazine
CID 174875966
phenylmethoxymethylbenzene;7H-purine
CID 71212113
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);phosphoric acid;7H-purine
CID 159643932

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(trimethyl)azanium;7H-purine;chloride?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium;7H-purine;chloride (CID 174898105) is 2-hydroxyethyl(trimethyl)azanium;7H-purine;chloride.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium;7H-purine;chloride?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium;7H-purine;chloride is C[N+](C)(C)CCO.[Cl-].c1ncc2[nH]cnc2n1.
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium;7H-purine;chloride?
The InChIKey is HTIZYOOMOAGFTQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4N4.C5H14NO.ClH/c1-4-5(8-2-6-1)9-3-7-4;1-6(2,3)4-5-7;/h1-3H,(H,6,7,8,9);7H,4-5H2,1-3H3;1H/q;+1;/p-1.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium;7H-purine;chloride?
2-hydroxyethyl(trimethyl)azanium;7H-purine;chloride has a molecular weight of 259.74 g/mol, XLogP of -2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium;7H-purine;chloride is sourced from PubChem (CID 174898105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).