[6,6-dimethyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)morpholin-2-yl]methanamine

C14H21N5O — CID 114782362

IUPAC[6,6-dimethyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)morpholin-2-yl]methanamine
SMILESCc1cc(N2CC(CN)OC(C)(C)C2)n2ncnc2c1
InChIInChI=1S/C14H21N5O/c1-10-4-12-16-9-17-19(12)13(5-10)18-7-11(6-15)20-14(2,3)8-18/h4-5,9,11H,6-8,15H2,1-3H3
InChIKeyINXLIJCFYSVYRS-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.98
Rot. Bonds2

About [6,6-dimethyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)morpholin-2-yl]methanamine

[6,6-dimethyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)morpholin-2-yl]methanamine (PubChem CID 114782362) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is [6,6-dimethyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[6,6-dimethyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)morpholin-2-yl]methanamine
PubChem CID114782362
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name[6,6-dimethyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)morpholin-2-yl]methanamine
SMILESCc1cc(N2CC(CN)OC(C)(C)C2)n2ncnc2c1
InChIInChI=1S/C14H21N5O/c1-10-4-12-16-9-17-19(12)13(5-10)18-7-11(6-15)20-14(2,3)8-18/h4-5,9,11H,6-8,15H2,1-3H3
InChIKeyINXLIJCFYSVYRS-UHFFFAOYSA-N
XLogP0.98
TPSA68.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6,6-dimethyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)morpholin-2-yl]methanamine?
The IUPAC name of [6,6-dimethyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)morpholin-2-yl]methanamine (CID 114782362) is [6,6-dimethyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)morpholin-2-yl]methanamine.
What is the SMILES notation for [6,6-dimethyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)morpholin-2-yl]methanamine?
The canonical SMILES for [6,6-dimethyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)morpholin-2-yl]methanamine is Cc1cc(N2CC(CN)OC(C)(C)C2)n2ncnc2c1.
What is the InChIKey of [6,6-dimethyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)morpholin-2-yl]methanamine?
The InChIKey is INXLIJCFYSVYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-10-4-12-16-9-17-19(12)13(5-10)18-7-11(6-15)20-14(2,3)8-18/h4-5,9,11H,6-8,15H2,1-3H3.
What are the key properties of [6,6-dimethyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)morpholin-2-yl]methanamine?
[6,6-dimethyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)morpholin-2-yl]methanamine has a molecular weight of 275.36 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6,6-dimethyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)morpholin-2-yl]methanamine is sourced from PubChem (CID 114782362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).