[4-methoxy-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]methanamine

C13H20N6O — CID 115963984

IUPAC[4-methoxy-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]methanamine
SMILESCOC1CCN(c2cc(C)nc3ncnn23)C(CN)C1
InChIInChI=1S/C13H20N6O/c1-9-5-12(19-13(17-9)15-8-16-19)18-4-3-11(20-2)6-10(18)7-14/h5,8,10-11H,3-4,6-7,14H2,1-2H3
InChIKeyDKLWIESBNQIGQX-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.38
Rot. Bonds3

About [4-methoxy-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]methanamine

[4-methoxy-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]methanamine (PubChem CID 115963984) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is [4-methoxy-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]methanamine
PubChem CID115963984
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name[4-methoxy-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]methanamine
SMILESCOC1CCN(c2cc(C)nc3ncnn23)C(CN)C1
InChIInChI=1S/C13H20N6O/c1-9-5-12(19-13(17-9)15-8-16-19)18-4-3-11(20-2)6-10(18)7-14/h5,8,10-11H,3-4,6-7,14H2,1-2H3
InChIKeyDKLWIESBNQIGQX-UHFFFAOYSA-N
XLogP0.38
TPSA81.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-methyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]methanamine
CID 80506250
2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]oxyethanamine
CID 82692163
7-[2-(3-chloropropyl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 63389962
[4-methoxy-1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]methanamine
CID 112622803
5-methyl-7-(2-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 5302733
7-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 95341158
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-2-carbaldehyde
CID 62663961
4-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2,6-dimethylpyridine-3-carboxamide
CID 115963834
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-2-carboxamide
CID 42917859
[4-methoxy-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]methanamine
CID 112622870
7-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 95336447
[1-(5-bromo-3-methyl-2-pyridinyl)-4-methoxypiperidin-2-yl]methanamine
CID 112622897

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]methanamine?
The IUPAC name of [4-methoxy-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]methanamine (CID 115963984) is [4-methoxy-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-methoxy-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]methanamine is COC1CCN(c2cc(C)nc3ncnn23)C(CN)C1.
What is the InChIKey of [4-methoxy-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]methanamine?
The InChIKey is DKLWIESBNQIGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-9-5-12(19-13(17-9)15-8-16-19)18-4-3-11(20-2)6-10(18)7-14/h5,8,10-11H,3-4,6-7,14H2,1-2H3.
What are the key properties of [4-methoxy-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]methanamine?
[4-methoxy-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]methanamine has a molecular weight of 276.34 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 115963984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).