(2S,3R,4R,5R)-2-(4-amino-2-chloroimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol

C11H14ClN5O4 — CID 118714769

IUPAC(2S,3R,4R,5R)-2-(4-amino-2-chloroimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
SMILESC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1cnc2c(N)nc(Cl)nn12
InChIInChI=1S/C11H14ClN5O4/c1-11(20)6(19)5(3-18)21-7(11)4-2-14-9-8(13)15-10(12)16-17(4)9/h2,5-7,18-20H,3H2,1H3,(H2,13,15,16)/t5-,6-,7+,11-/m1/s1
InChIKeyDHEALCGIQCNHKD-FHZUQPTBSA-N
MW315.72 g/mol
LogP-1.10
Rot. Bonds2

About (2S,3R,4R,5R)-2-(4-amino-2-chloroimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol

(2S,3R,4R,5R)-2-(4-amino-2-chloroimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol (PubChem CID 118714769) has the molecular formula C11H14ClN5O4 and a molecular weight of 315.72 g/mol. Its IUPAC name is (2S,3R,4R,5R)-2-(4-amino-2-chloroimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-2-(4-amino-2-chloroimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
PubChem CID118714769
Molecular FormulaC11H14ClN5O4
Molecular Weight315.72 g/mol
Exact Mass315.07
IUPAC Name(2S,3R,4R,5R)-2-(4-amino-2-chloroimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
SMILESC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1cnc2c(N)nc(Cl)nn12
InChIInChI=1S/C11H14ClN5O4/c1-11(20)6(19)5(3-18)21-7(11)4-2-14-9-8(13)15-10(12)16-17(4)9/h2,5-7,18-20H,3H2,1H3,(H2,13,15,16)/t5-,6-,7+,11-/m1/s1
InChIKeyDHEALCGIQCNHKD-FHZUQPTBSA-N
XLogP-1.10
TPSA139.02 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (2S,3R,4R,5R)-2-(4-amino-2-chloroimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-2-(4-amino-2-chloroimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
The IUPAC name of (2S,3R,4R,5R)-2-(4-amino-2-chloroimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol (CID 118714769) is (2S,3R,4R,5R)-2-(4-amino-2-chloroimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5R)-2-(4-amino-2-chloroimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
The canonical SMILES for (2S,3R,4R,5R)-2-(4-amino-2-chloroimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol is C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1cnc2c(N)nc(Cl)nn12.
What is the InChIKey of (2S,3R,4R,5R)-2-(4-amino-2-chloroimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
The InChIKey is DHEALCGIQCNHKD-FHZUQPTBSA-N. The full InChI is InChI=1S/C11H14ClN5O4/c1-11(20)6(19)5(3-18)21-7(11)4-2-14-9-8(13)15-10(12)16-17(4)9/h2,5-7,18-20H,3H2,1H3,(H2,13,15,16)/t5-,6-,7+,11-/m1/s1.
What are the key properties of (2S,3R,4R,5R)-2-(4-amino-2-chloroimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
(2S,3R,4R,5R)-2-(4-amino-2-chloroimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol has a molecular weight of 315.72 g/mol, XLogP of -1.10, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-2-(4-amino-2-chloroimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol is sourced from PubChem (CID 118714769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).