7H-purine;trihydrochloride

C5H7Cl3N4 — CID 141012213

IUPAC7H-purine;trihydrochloride
SMILESCl.Cl.Cl.c1ncc2[nH]cnc2n1
InChIInChI=1S/C5H4N4.3ClH/c1-4-5(8-2-6-1)9-3-7-4;;;/h1-3H,(H,6,7,8,9);3*1H
InChIKeyUZNQRSTWYFVQHM-UHFFFAOYSA-N
MW229.50 g/mol
LogP1.62
Rot. Bonds

About 7H-purine;trihydrochloride

7H-purine;trihydrochloride (PubChem CID 141012213) has the molecular formula C5H7Cl3N4 and a molecular weight of 229.50 g/mol. Its IUPAC name is 7H-purine;trihydrochloride.

Molecular Properties

Compound Name7H-purine;trihydrochloride
PubChem CID141012213
Molecular FormulaC5H7Cl3N4
Molecular Weight229.50 g/mol
Exact Mass227.97
IUPAC Name7H-purine;trihydrochloride
SMILESCl.Cl.Cl.c1ncc2[nH]cnc2n1
InChIInChI=1S/C5H4N4.3ClH/c1-4-5(8-2-6-1)9-3-7-4;;;/h1-3H,(H,6,7,8,9);3*1H
InChIKeyUZNQRSTWYFVQHM-UHFFFAOYSA-N
XLogP1.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.50
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7H-purine;trihydrochloride?
The IUPAC name of 7H-purine;trihydrochloride (CID 141012213) is 7H-purine;trihydrochloride.
What is the SMILES notation for 7H-purine;trihydrochloride?
The canonical SMILES for 7H-purine;trihydrochloride is Cl.Cl.Cl.c1ncc2[nH]cnc2n1.
What is the InChIKey of 7H-purine;trihydrochloride?
The InChIKey is UZNQRSTWYFVQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4.3ClH/c1-4-5(8-2-6-1)9-3-7-4;;;/h1-3H,(H,6,7,8,9);3*1H.
What are the key properties of 7H-purine;trihydrochloride?
7H-purine;trihydrochloride has a molecular weight of 229.50 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-purine;trihydrochloride is sourced from PubChem (CID 141012213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).