(2R)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]oxolan-3-amine

C15H16N6O2 — CID 90389930

IUPAC(2R)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]oxolan-3-amine
SMILESCOc1ccc(-n2nnc3cnc([C@@H]4OCCC4N)nc32)cc1
InChIInChI=1S/C15H16N6O2/c1-22-10-4-2-9(3-5-10)21-15-12(19-20-21)8-17-14(18-15)13-11(16)6-7-23-13/h2-5,8,11,13H,6-7,16H2,1H3/t11?,13-/m1/s1
InChIKeyACVNMKJRRAZOQA-GLGOKHISSA-N
MW312.33 g/mol
LogP1.01
Rot. Bonds3

About (2R)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]oxolan-3-amine

(2R)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]oxolan-3-amine (PubChem CID 90389930) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is (2R)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name(2R)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]oxolan-3-amine
PubChem CID90389930
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name(2R)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]oxolan-3-amine
SMILESCOc1ccc(-n2nnc3cnc([C@@H]4OCCC4N)nc32)cc1
InChIInChI=1S/C15H16N6O2/c1-22-10-4-2-9(3-5-10)21-15-12(19-20-21)8-17-14(18-15)13-11(16)6-7-23-13/h2-5,8,11,13H,6-7,16H2,1H3/t11?,13-/m1/s1
InChIKeyACVNMKJRRAZOQA-GLGOKHISSA-N
XLogP1.01
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 86279715
trans-(1S,3S)-3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
CID 90389737
cis-(1R,3S)-3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 159578665
3-(4-methoxyphenyl)-5-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]triazolo[4,5-d]pyrimidine
CID 152833129
carbamic acid;N-cyclohexyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 129094343
3-(4-methoxyphenyl)-N-[(1S,3S)-3-methylcyclopentyl]triazolo[4,5-d]pyrimidin-5-amine
CID 90397889
3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid
CID 123258965
3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carbonitrile
CID 118659313
3-(4-methoxyphenyl)-N-[(3R)-pyrrolidin-3-yl]triazolo[4,5-d]pyrimidin-5-amine;hydrochloride
CID 90390001
3-(4-methoxyphenyl)-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]triazolo[4,5-d]pyrimidin-5-amine
CID 90390056
3-(4-methoxyphenyl)-N-[(1R,3S)-3-(trimethyl-λ4-sulfanyl)cyclopentyl]triazolo[4,5-d]pyrimidin-5-amine
CID 118668260
1-[4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexyl]piperidin-4-ol
CID 90389778

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]oxolan-3-amine?
The IUPAC name of (2R)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]oxolan-3-amine (CID 90389930) is (2R)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]oxolan-3-amine.
What is the SMILES notation for (2R)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]oxolan-3-amine?
The canonical SMILES for (2R)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]oxolan-3-amine is COc1ccc(-n2nnc3cnc([C@@H]4OCCC4N)nc32)cc1.
What is the InChIKey of (2R)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]oxolan-3-amine?
The InChIKey is ACVNMKJRRAZOQA-GLGOKHISSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-22-10-4-2-9(3-5-10)21-15-12(19-20-21)8-17-14(18-15)13-11(16)6-7-23-13/h2-5,8,11,13H,6-7,16H2,1H3/t11?,13-/m1/s1.
What are the key properties of (2R)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]oxolan-3-amine?
(2R)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]oxolan-3-amine has a molecular weight of 312.33 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]oxolan-3-amine is sourced from PubChem (CID 90389930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).