[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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Related Compounds

[(1R,2S)-2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)cyclopentyl]methanol
CID 503160
[(1R,2S)-2-[(7-aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl]methanol
CID 503161
[(1S,2S)-2-(6-chloropurin-9-yl)cyclopentyl]methanol
CID 10264247
[(1R,2S)-2-(5,7-diaminotriazolo[4,5-d]pyrimidin-3-yl)cyclopentyl]methanol
CID 44276566
[2-(6-Chloropurin-9-yl)cyclopentyl]methanol
CID 44302286
Carbocyclic-2',3'-dideoxyadenosine
CID 255105
[3-(6-Aminopurin-9-yl)cyclopentyl]methanol
CID 357072
[3-(2-Amino-6-chloropurin-9-yl)cyclopentyl]methanol
CID 357372
Cyclopentanemethanol, 3-(6-chloro-9H-purin-9-yl)-, cis-
CID 451903
(+-)-cis-(3-(2-Amino-6-chloro-9H-purinyl-9-yl)cyclopentyl)carbinol
CID 451923
(+-)-cis-(3-(5-Amino-7-chloro-3H-1,2,3-triazolo(4,5-d)pyrimidin-3-yl)cyclopentenyl)carbinol
CID 452102
(+-)-cis-(3-(5,7-Diamino-3H-1,2,3-triazolo(4,5-d)pyrimidin-3-yl)cyclopentenyl)carbinol
CID 452106

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).