2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-propan-2-ylamino]ethanol

C12H19N5O2 — CID 100672955

IUPAC2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-propan-2-ylamino]ethanol
SMILESCOCc1cc(N(CCO)C(C)C)n2ncnc2n1
InChIInChI=1S/C12H19N5O2/c1-9(2)16(4-5-18)11-6-10(7-19-3)15-12-13-8-14-17(11)12/h6,8-9,18H,4-5,7H2,1-3H3
InChIKeyOYSNJLPNCVVWQD-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.48
Rot. Bonds6

About 2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-propan-2-ylamino]ethanol

2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-propan-2-ylamino]ethanol (PubChem CID 100672955) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-propan-2-ylamino]ethanol
PubChem CID100672955
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-propan-2-ylamino]ethanol
SMILESCOCc1cc(N(CCO)C(C)C)n2ncnc2n1
InChIInChI=1S/C12H19N5O2/c1-9(2)16(4-5-18)11-6-10(7-19-3)15-12-13-8-14-17(11)12/h6,8-9,18H,4-5,7H2,1-3H3
InChIKeyOYSNJLPNCVVWQD-UHFFFAOYSA-N
XLogP0.48
TPSA75.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-propan-2-ylamino]ethanol with MolForge

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Related Compounds

Ethanol, 2-(ethyl-(5-methyl(1,2,4)triazolo(1,5-a)pyrimidin-7-yl)amino)-
CID 3041536
7-Chloro-5-(methoxymethyl)-(1,2,4)triazolo(1,5-a)pyrimidine
CID 16767723
N-(2,2-difluoroethyl)-5-(methoxymethyl)-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 56789615
5-(Methoxymethyl)-7-(4-morpholinyl)pyrazolo[1,5-a]pyrimidine
CID 56887877
N-cyclopropyl-N-(2,2-difluoroethyl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 72015635
N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 72015638
2-tert-butyl-6-(methoxymethyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 75431432
(3S)-3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 32810016
7-(1-Azocanyl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine
CID 56898341
N'-[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]pyrimidin-4-yl]-N,N-dimethylmethanimidamide
CID 57818515
N-[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]pyrimidin-4-yl]-1-morpholin-4-ylmethanimine
CID 57818711
(S)-3-{[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl](methyl)amino}propane-1,2-diol
CID 95862211

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-propan-2-ylamino]ethanol (CID 100672955) is 2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-propan-2-ylamino]ethanol is COCc1cc(N(CCO)C(C)C)n2ncnc2n1.
What is the InChIKey of 2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-propan-2-ylamino]ethanol?
The InChIKey is OYSNJLPNCVVWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-9(2)16(4-5-18)11-6-10(7-19-3)15-12-13-8-14-17(11)12/h6,8-9,18H,4-5,7H2,1-3H3.
What are the key properties of 2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-propan-2-ylamino]ethanol?
2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-propan-2-ylamino]ethanol has a molecular weight of 265.32 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-propan-2-ylamino]ethanol is sourced from PubChem (CID 100672955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).