7,7-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine

C15H20N4O — CID 64862717

IUPAC7,7-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NCc2nnc3ccccn23)C2CCOC21
InChIInChI=1S/C15H20N4O/c1-15(2)13(10-6-8-20-14(10)15)16-9-12-18-17-11-5-3-4-7-19(11)12/h3-5,7,10,13-14,16H,6,8-9H2,1-2H3
InChIKeyBQKOGLWBEZBXRH-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.63
Rot. Bonds3

About 7,7-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 64862717) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 7,7-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID64862717
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name7,7-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NCc2nnc3ccccn23)C2CCOC21
InChIInChI=1S/C15H20N4O/c1-15(2)13(10-6-8-20-14(10)15)16-9-12-18-17-11-5-3-4-7-19(11)12/h3-5,7,10,13-14,16H,6,8-9H2,1-2H3
InChIKeyBQKOGLWBEZBXRH-UHFFFAOYSA-N
XLogP1.63
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7,7-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine with MolForge

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Related Compounds

(1S,5R,6R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 97347379
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863105
(1R,2S,6S,7S,8R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 9114126
1-[(2R,3R)-2-phenyloxolan-3-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 95971556
N-[(4-chlorophenyl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864266
7,7-dimethyl-N-[2-(2-methylphenyl)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 79762694
1-(oxan-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 62385184
7,7-dimethyl-N-[(2-nitrophenyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863148
1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 97086235
1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 97086236
3-ethoxy-2-ethyl-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclobutan-1-amine
CID 65167802
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466013

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine (CID 64862717) is 7,7-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine is CC1(C)C(NCc2nnc3ccccn23)C2CCOC21.
What is the InChIKey of 7,7-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is BQKOGLWBEZBXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(2)13(10-6-8-20-14(10)15)16-9-12-18-17-11-5-3-4-7-19(11)12/h3-5,7,10,13-14,16H,6,8-9H2,1-2H3.
What are the key properties of 7,7-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 272.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 64862717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).