(1S,2R,3S,5S)-3-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol

C10H13ClN6O3 — CID 131879875

IUPAC(1S,2R,3S,5S)-3-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESNc1nc(Cl)c2nnn([C@H]3C[C@@H](CO)[C@H](O)[C@@H]3O)c2n1
InChIInChI=1S/C10H13ClN6O3/c11-8-5-9(14-10(12)13-8)17(16-15-5)4-1-3(2-18)6(19)7(4)20/h3-4,6-7,18-20H,1-2H2,(H2,12,13,14)/t3-,4-,6-,7+/m0/s1
InChIKeyOGDHXDCHRQQLSX-SUAKCOOASA-N
MW300.71 g/mol
LogP-1.27
Rot. Bonds2

About (1S,2R,3S,5S)-3-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol

(1S,2R,3S,5S)-3-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol (PubChem CID 131879875) has the molecular formula C10H13ClN6O3 and a molecular weight of 300.71 g/mol. Its IUPAC name is (1S,2R,3S,5S)-3-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2R,3S,5S)-3-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
PubChem CID131879875
Molecular FormulaC10H13ClN6O3
Molecular Weight300.71 g/mol
Exact Mass300.07
IUPAC Name(1S,2R,3S,5S)-3-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESNc1nc(Cl)c2nnn([C@H]3C[C@@H](CO)[C@H](O)[C@@H]3O)c2n1
InChIInChI=1S/C10H13ClN6O3/c11-8-5-9(14-10(12)13-8)17(16-15-5)4-1-3(2-18)6(19)7(4)20/h3-4,6-7,18-20H,1-2H2,(H2,12,13,14)/t3-,4-,6-,7+/m0/s1
InChIKeyOGDHXDCHRQQLSX-SUAKCOOASA-N
XLogP-1.27
TPSA143.20 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (1S,2R,3S,5S)-3-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,2R)-2-(2-amino-6-chloropurin-9-yl)cyclopentyl]methanol
CID 139633326
5-bromo-1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,2,4-triazole-3-carboxamide
CID 71090846
bis(dichlorophosphoryl)methane;[[(1R,2R,3S,4R)-4-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl]methylphosphonic acid;(1R,2S,3R,5R)-3-[5-chloro-7-[(2-chlorophenyl)methylamino]triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol;methane
CID 162171256
(1R,2S,3R,5R)-3-[2-amino-6-(methoxyamino)purin-9-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 10924939
1-[2-(2-amino-6-chloropurin-9-yl)-4-(hydroxymethyl)cyclobutyl]propan-1-ol
CID 88503264
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[7-[[2-(4-hydroxyphenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2-diol
CID 91117150
[3-(5,7-dichlorotriazolo[4,5-d]pyrimidin-3-yl)cyclopentyl]methanol
CID 142586897
(1R)-1-[(1R,3R)-3-[2-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)ethyl]-2,2-dimethylcyclobutyl]ethanol
CID 3010794
[[(1R,2R,3S,4R)-4-[5-chloro-7-[(3-chlorophenyl)methyl-methylamino]triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 146496740
(1R,2S,3R)-3-(7-chloro-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)cyclopentane-1,2-diol
CID 21027490
[[(1R,2R,3S,4R)-4-[5-chloro-7-[methyl-[(1S)-1-phenylethyl]amino]triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 142470781
[[(1R,2R,3S,4R)-4-[5-chloro-7-[[(1S)-1-phenylethyl]amino]triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 146496649

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,5S)-3-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol?
The IUPAC name of (1S,2R,3S,5S)-3-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol (CID 131879875) is (1S,2R,3S,5S)-3-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol.
What is the SMILES notation for (1S,2R,3S,5S)-3-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol?
The canonical SMILES for (1S,2R,3S,5S)-3-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol is Nc1nc(Cl)c2nnn([C@H]3C[C@@H](CO)[C@H](O)[C@@H]3O)c2n1.
What is the InChIKey of (1S,2R,3S,5S)-3-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol?
The InChIKey is OGDHXDCHRQQLSX-SUAKCOOASA-N. The full InChI is InChI=1S/C10H13ClN6O3/c11-8-5-9(14-10(12)13-8)17(16-15-5)4-1-3(2-18)6(19)7(4)20/h3-4,6-7,18-20H,1-2H2,(H2,12,13,14)/t3-,4-,6-,7+/m0/s1.
What are the key properties of (1S,2R,3S,5S)-3-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol?
(1S,2R,3S,5S)-3-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol has a molecular weight of 300.71 g/mol, XLogP of -1.27, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,5S)-3-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 131879875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).