(2R,3S,5R)-5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol

C10H14N6O3 — CID 130373586

IUPAC(2R,3S,5R)-5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1nc(N)c2ncc([C@H]3C[C@H](O)[C@@H](CO)O3)n2n1
InChIInChI=1S/C10H14N6O3/c11-8-9-13-2-4(16(9)15-10(12)14-8)6-1-5(18)7(3-17)19-6/h2,5-7,17-18H,1,3H2,(H4,11,12,14,15)/t5-,6+,7+/m0/s1
InChIKeyJFBCHDPWTSIIFE-RRKCRQDMSA-N
MW266.26 g/mol
LogP-1.53
Rot. Bonds2

About (2R,3S,5R)-5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 130373586) has the molecular formula C10H14N6O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is (2R,3S,5R)-5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID130373586
Molecular FormulaC10H14N6O3
Molecular Weight266.26 g/mol
Exact Mass266.11
IUPAC Name(2R,3S,5R)-5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1nc(N)c2ncc([C@H]3C[C@H](O)[C@@H](CO)O3)n2n1
InChIInChI=1S/C10H14N6O3/c11-8-9-13-2-4(16(9)15-10(12)14-8)6-1-5(18)7(3-17)19-6/h2,5-7,17-18H,1,3H2,(H4,11,12,14,15)/t5-,6+,7+/m0/s1
InChIKeyJFBCHDPWTSIIFE-RRKCRQDMSA-N
XLogP-1.53
TPSA144.81 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,5R)-5-(2,4-diaminopyrimidin-5-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 46242438
[(2S,3S,5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3-methyloxolan-2-yl]methanol
CID 118409928
5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2,2-bis(hydroxymethyl)oxolan-3-ol
CID 123324381
(2R,6S,7R)-2-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-5,6-dihydroxy-7-(hydroxymethyl)oxepane-2-carbonitrile
CID 163849303
[5-(2,4-diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol
CID 78042214
5-(2-amino-4-methoxyimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 78167418
8-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 170585238
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-1,3,5-triazin-2-one
CID 76973346
5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)oxolane-2-carbaldehyde
CID 123252189
(2R,3S,5S)-5-(6-bromo-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
CID 139054704
(2S,3R)-5-(2-amino-6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154723265
2-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 123636704

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol (CID 130373586) is (2R,3S,5R)-5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol is Nc1nc(N)c2ncc([C@H]3C[C@H](O)[C@@H](CO)O3)n2n1.
What is the InChIKey of (2R,3S,5R)-5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is JFBCHDPWTSIIFE-RRKCRQDMSA-N. The full InChI is InChI=1S/C10H14N6O3/c11-8-9-13-2-4(16(9)15-10(12)14-8)6-1-5(18)7(3-17)19-6/h2,5-7,17-18H,1,3H2,(H4,11,12,14,15)/t5-,6+,7+/m0/s1.
What are the key properties of (2R,3S,5R)-5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 266.26 g/mol, XLogP of -1.53, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 130373586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).