(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine

C9H11N5O — CID 142415580

IUPAC(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESc1cc([C@@H]2CNCCO2)n2ncnc2n1
InChIInChI=1S/C9H11N5O/c1-2-11-9-12-6-13-14(9)7(1)8-5-10-3-4-15-8/h1-2,6,8,10H,3-5H2/t8-/m0/s1
InChIKeyZIEXJTLODFCBKS-QMMMGPOBSA-N
MW205.22 g/mol
LogP-0.21
Rot. Bonds1

About (2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine

(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine (PubChem CID 142415580) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is (2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine.

Molecular Properties

Compound Name(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
PubChem CID142415580
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESc1cc([C@@H]2CNCCO2)n2ncnc2n1
InChIInChI=1S/C9H11N5O/c1-2-11-9-12-6-13-14(9)7(1)8-5-10-3-4-15-8/h1-2,6,8,10H,3-5H2/t8-/m0/s1
InChIKeyZIEXJTLODFCBKS-QMMMGPOBSA-N
XLogP-0.21
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylpyrimidin-4-yl)morpholine
CID 66509815
2-(2-methylpyrazol-3-yl)-1,4-oxazepane
CID 130791824
(2R)-2-pyrimidin-4-ylmorpholine
CID 92615197
2-pyridin-2-ylmorpholine
CID 19353403
2-(4-methylpyrimidin-2-yl)morpholine
CID 116901757
2-(3-pyridin-3-ylimidazol-4-yl)morpholine
CID 114717439
2-[4-(4-fluorophenyl)pyrimidin-2-yl]morpholine
CID 116901764
(2-morpholin-2-yl-3-pyridinyl) hypobromite
CID 151320641
2-morpholin-2-ylpyrazol-3-amine
CID 153475224
2-[3-[1-(4-methylphenyl)ethyl]imidazol-4-yl]morpholine
CID 114719268
(2S)-2-(furan-2-yl)morpholine
CID 42182763
2-(4-cyclohexylpyrimidin-2-yl)morpholine
CID 116901783

Frequently Asked Questions

What is the IUPAC name of (2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The IUPAC name of (2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine (CID 142415580) is (2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine.
What is the SMILES notation for (2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The canonical SMILES for (2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine is c1cc([C@@H]2CNCCO2)n2ncnc2n1.
What is the InChIKey of (2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The InChIKey is ZIEXJTLODFCBKS-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11N5O/c1-2-11-9-12-6-13-14(9)7(1)8-5-10-3-4-15-8/h1-2,6,8,10H,3-5H2/t8-/m0/s1.
What are the key properties of (2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine has a molecular weight of 205.22 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 142415580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).