1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-2-yl]ethanamine

C12H18N6O — CID 115315727

IUPAC1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-2-yl]ethanamine
SMILESCc1cc(N2CCOC(C(C)N)C2)n2ncnc2n1
InChIInChI=1S/C12H18N6O/c1-8-5-11(18-12(16-8)14-7-15-18)17-3-4-19-10(6-17)9(2)13/h5,7,9-10H,3-4,6,13H2,1-2H3
InChIKeyZVFNCYBANVRXQQ-UHFFFAOYSA-N
MW262.32 g/mol
LogP-0.01
Rot. Bonds2

About 1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-2-yl]ethanamine

1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-2-yl]ethanamine (PubChem CID 115315727) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-2-yl]ethanamine
PubChem CID115315727
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-2-yl]ethanamine
SMILESCc1cc(N2CCOC(C(C)N)C2)n2ncnc2n1
InChIInChI=1S/C12H18N6O/c1-8-5-11(18-12(16-8)14-7-15-18)17-3-4-19-10(6-17)9(2)13/h5,7,9-10H,3-4,6,13H2,1-2H3
InChIKeyZVFNCYBANVRXQQ-UHFFFAOYSA-N
XLogP-0.01
TPSA81.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(2,6-dimethyl-4-pyridinyl)morpholin-2-yl]ethanamine
CID 114272217
2-(4-bromophenyl)-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 133274491
N-cyclopropyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine-2-carboxamide
CID 155799885
7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 121184229
(3S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 94173217
N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine
CID 63854044
7-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 97221913
5-methyl-7-(4-propan-2-ylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163347886
2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-amine
CID 63338782
7-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 60916273
5-methyl-7-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163354019
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
CID 18191380

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-2-yl]ethanamine (CID 115315727) is 1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-2-yl]ethanamine is Cc1cc(N2CCOC(C(C)N)C2)n2ncnc2n1.
What is the InChIKey of 1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-2-yl]ethanamine?
The InChIKey is ZVFNCYBANVRXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-8-5-11(18-12(16-8)14-7-15-18)17-3-4-19-10(6-17)9(2)13/h5,7,9-10H,3-4,6,13H2,1-2H3.
What are the key properties of 1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-2-yl]ethanamine?
1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-2-yl]ethanamine has a molecular weight of 262.32 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-2-yl]ethanamine is sourced from PubChem (CID 115315727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).