1-(7H-purin-6-yl)propane-1,2,3-triol

C8H10N4O3 — CID 170818005

IUPAC1-(7H-purin-6-yl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1ncnc2nc[nH]c12
InChIInChI=1S/C8H10N4O3/c13-1-4(14)7(15)5-6-8(11-2-9-5)12-3-10-6/h2-4,7,13-15H,1H2,(H,9,10,11,12)
InChIKeyGGDMIVHHFMTNIF-UHFFFAOYSA-N
MW210.19 g/mol
LogP-1.26
Rot. Bonds3

About 1-(7H-purin-6-yl)propane-1,2,3-triol

1-(7H-purin-6-yl)propane-1,2,3-triol (PubChem CID 170818005) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-(7H-purin-6-yl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(7H-purin-6-yl)propane-1,2,3-triol
PubChem CID170818005
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name1-(7H-purin-6-yl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1ncnc2nc[nH]c12
InChIInChI=1S/C8H10N4O3/c13-1-4(14)7(15)5-6-8(11-2-9-5)12-3-10-6/h2-4,7,13-15H,1H2,(H,9,10,11,12)
InChIKeyGGDMIVHHFMTNIF-UHFFFAOYSA-N
XLogP-1.26
TPSA115.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-(7H-purin-6-yl)ethanol
CID 18670461
molecular hydrogen;6-propan-2-yl-7H-purine
CID 171499387
2-amino-3-hydroxypropanoic acid;2-amino-3-sulfanylpropanoic acid;7H-purin-6-amine
CID 87633644
2-(7H-purin-6-yl)ethanol
CID 53402024
1-(7H-purin-6-yl)propan-2-ol
CID 174759958
(7H-purin-6-ylamino)methanol
CID 86209273
3-methyl-1-(7H-purin-6-ylamino)butan-2-ol
CID 5042339
1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol
CID 138385634
1-chloro-3-(7H-purin-6-ylsulfanyl)propan-2-ol
CID 10467018
6-chloro-7H-purine
CID 53349102
6-chloro-7H-purine
CID 5359277
N-(7H-purin-6-yl)hydroxylamine
CID 21876

Frequently Asked Questions

What is the IUPAC name of 1-(7H-purin-6-yl)propane-1,2,3-triol?
The IUPAC name of 1-(7H-purin-6-yl)propane-1,2,3-triol (CID 170818005) is 1-(7H-purin-6-yl)propane-1,2,3-triol.
What is the SMILES notation for 1-(7H-purin-6-yl)propane-1,2,3-triol?
The canonical SMILES for 1-(7H-purin-6-yl)propane-1,2,3-triol is OCC(O)C(O)c1ncnc2nc[nH]c12.
What is the InChIKey of 1-(7H-purin-6-yl)propane-1,2,3-triol?
The InChIKey is GGDMIVHHFMTNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c13-1-4(14)7(15)5-6-8(11-2-9-5)12-3-10-6/h2-4,7,13-15H,1H2,(H,9,10,11,12).
What are the key properties of 1-(7H-purin-6-yl)propane-1,2,3-triol?
1-(7H-purin-6-yl)propane-1,2,3-triol has a molecular weight of 210.19 g/mol, XLogP of -1.26, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7H-purin-6-yl)propane-1,2,3-triol is sourced from PubChem (CID 170818005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).