7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine

C12H17N5O — CID 118409929

IUPAC7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCC[C@H]1O[C@@H](c2cnc3c(N)ncnn23)C[C@@H]1C
InChIInChI=1S/C12H17N5O/c1-3-9-7(2)4-10(18-9)8-5-14-12-11(13)15-6-16-17(8)12/h5-7,9-10H,3-4H2,1-2H3,(H2,13,15,16)/t7-,9+,10+/m0/s1
InChIKeyNSKNZWSMUFYUIA-FXBDTBDDSA-N
MW247.30 g/mol
LogP1.58
Rot. Bonds2

About 7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine

7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 118409929) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine
PubChem CID118409929
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCC[C@H]1O[C@@H](c2cnc3c(N)ncnn23)C[C@@H]1C
InChIInChI=1S/C12H17N5O/c1-3-9-7(2)4-10(18-9)8-5-14-12-11(13)15-6-16-17(8)12/h5-7,9-10H,3-4H2,1-2H3,(H2,13,15,16)/t7-,9+,10+/m0/s1
InChIKeyNSKNZWSMUFYUIA-FXBDTBDDSA-N
XLogP1.58
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine (CID 118409929) is 7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine is CC[C@H]1O[C@@H](c2cnc3c(N)ncnn23)C[C@@H]1C.
What is the InChIKey of 7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is NSKNZWSMUFYUIA-FXBDTBDDSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-9-7(2)4-10(18-9)8-5-14-12-11(13)15-6-16-17(8)12/h5-7,9-10H,3-4H2,1-2H3,(H2,13,15,16)/t7-,9+,10+/m0/s1.
What are the key properties of 7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine?
7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 247.30 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 118409929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).