[3-(5,7-dichlorotriazolo[4,5-d]pyrimidin-3-yl)cyclopentyl]methanol

C10H11Cl2N5O — CID 142586897

IUPAC[3-(5,7-dichlorotriazolo[4,5-d]pyrimidin-3-yl)cyclopentyl]methanol
SMILESOCC1CCC(n2nnc3c(Cl)nc(Cl)nc32)C1
InChIInChI=1S/C10H11Cl2N5O/c11-8-7-9(14-10(12)13-8)17(16-15-7)6-2-1-5(3-6)4-18/h5-6,18H,1-4H2
InChIKeyINOAXJXELDGGGA-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.86
Rot. Bonds2

About [3-(5,7-dichlorotriazolo[4,5-d]pyrimidin-3-yl)cyclopentyl]methanol

[3-(5,7-dichlorotriazolo[4,5-d]pyrimidin-3-yl)cyclopentyl]methanol (PubChem CID 142586897) has the molecular formula C10H11Cl2N5O and a molecular weight of 288.14 g/mol. Its IUPAC name is [3-(5,7-dichlorotriazolo[4,5-d]pyrimidin-3-yl)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(5,7-dichlorotriazolo[4,5-d]pyrimidin-3-yl)cyclopentyl]methanol
PubChem CID142586897
Molecular FormulaC10H11Cl2N5O
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name[3-(5,7-dichlorotriazolo[4,5-d]pyrimidin-3-yl)cyclopentyl]methanol
SMILESOCC1CCC(n2nnc3c(Cl)nc(Cl)nc32)C1
InChIInChI=1S/C10H11Cl2N5O/c11-8-7-9(14-10(12)13-8)17(16-15-7)6-2-1-5(3-6)4-18/h5-6,18H,1-4H2
InChIKeyINOAXJXELDGGGA-UHFFFAOYSA-N
XLogP1.86
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(5,7-dichlorotriazolo[4,5-d]pyrimidin-3-yl)cyclopentyl]methanol?
The IUPAC name of [3-(5,7-dichlorotriazolo[4,5-d]pyrimidin-3-yl)cyclopentyl]methanol (CID 142586897) is [3-(5,7-dichlorotriazolo[4,5-d]pyrimidin-3-yl)cyclopentyl]methanol.
What is the SMILES notation for [3-(5,7-dichlorotriazolo[4,5-d]pyrimidin-3-yl)cyclopentyl]methanol?
The canonical SMILES for [3-(5,7-dichlorotriazolo[4,5-d]pyrimidin-3-yl)cyclopentyl]methanol is OCC1CCC(n2nnc3c(Cl)nc(Cl)nc32)C1.
What is the InChIKey of [3-(5,7-dichlorotriazolo[4,5-d]pyrimidin-3-yl)cyclopentyl]methanol?
The InChIKey is INOAXJXELDGGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N5O/c11-8-7-9(14-10(12)13-8)17(16-15-7)6-2-1-5(3-6)4-18/h5-6,18H,1-4H2.
What are the key properties of [3-(5,7-dichlorotriazolo[4,5-d]pyrimidin-3-yl)cyclopentyl]methanol?
[3-(5,7-dichlorotriazolo[4,5-d]pyrimidin-3-yl)cyclopentyl]methanol has a molecular weight of 288.14 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5,7-dichlorotriazolo[4,5-d]pyrimidin-3-yl)cyclopentyl]methanol is sourced from PubChem (CID 142586897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).