7-[(5S)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C17H24N6O2 — CID 156542934

IUPAC7-[(5S)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(C3CC[C@@H](CN4CCOC5(CNC5)C4)O3)ccc12
InChIInChI=1S/C17H24N6O2/c18-16-14-3-2-13(23(14)21-11-20-16)15-4-1-12(25-15)7-22-5-6-24-17(10-22)8-19-9-17/h2-3,11-12,15,19H,1,4-10H2,(H2,18,20,21)/t12-,15?/m0/s1
InChIKeyKJJJVQNRFDKOFM-SFVWDYPZSA-N
MW344.42 g/mol
LogP0.21
Rot. Bonds3

About 7-[(5S)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

7-[(5S)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 156542934) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 7-[(5S)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-[(5S)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID156542934
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name7-[(5S)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(C3CC[C@@H](CN4CCOC5(CNC5)C4)O3)ccc12
InChIInChI=1S/C17H24N6O2/c18-16-14-3-2-13(23(14)21-11-20-16)15-4-1-12(25-15)7-22-5-6-24-17(10-22)8-19-9-17/h2-3,11-12,15,19H,1,4-10H2,(H2,18,20,21)/t12-,15?/m0/s1
InChIKeyKJJJVQNRFDKOFM-SFVWDYPZSA-N
XLogP0.21
TPSA89.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-[(5S)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Related Compounds

7-[(2R,5S)-5-[(8-ethyl-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 156542917
[(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl acetate
CID 166531010
7-[(2R,5S)-5-[[3,3-difluoro-8-[2-(4-fluorophenyl)ethyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;propane-2,2-diol
CID 145365080
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 142386433
7-[(2R,5S)-5-[[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methyl]oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;propane-2,2-diol
CID 145365083
7-[(2R,5S)-5-[[(2S)-2-[(dimethylamino)methyl]-4,4-difluoropiperidin-1-yl]methyl]oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 156542769
(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolane-3,4-diol
CID 130418774
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl cyclopentyl carbonate
CID 172567768
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl ethyl carbonate;propane-1,1-diol
CID 169174248
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl 2-(4,4-dimethylcyclohexyl)acetate;formonitrile
CID 166531208
7-[[(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxycarbonyloxy]heptanoic acid
CID 170228106
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methyloxolan-2-yl]methanol
CID 123972346

Frequently Asked Questions

What is the IUPAC name of 7-[(5S)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-[(5S)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 156542934) is 7-[(5S)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-[(5S)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-[(5S)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is Nc1ncnn2c(C3CC[C@@H](CN4CCOC5(CNC5)C4)O3)ccc12.
What is the InChIKey of 7-[(5S)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is KJJJVQNRFDKOFM-SFVWDYPZSA-N. The full InChI is InChI=1S/C17H24N6O2/c18-16-14-3-2-13(23(14)21-11-20-16)15-4-1-12(25-15)7-22-5-6-24-17(10-22)8-19-9-17/h2-3,11-12,15,19H,1,4-10H2,(H2,18,20,21)/t12-,15?/m0/s1.
What are the key properties of 7-[(5S)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
7-[(5S)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 344.42 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5S)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 156542934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).