N-[(3-methoxyoxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine

C13H22N4O2 — CID 107077780

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
SMILESCOC1(CNCc2nnc3n2CCCC3)CCOC1
InChIInChI=1S/C13H22N4O2/c1-18-13(5-7-19-10-13)9-14-8-12-16-15-11-4-2-3-6-17(11)12/h14H,2-10H2,1H3
InChIKeyYQZMCKUISNYYGJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.51
Rot. Bonds5

About N-[(3-methoxyoxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine

N-[(3-methoxyoxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine (PubChem CID 107077780) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
PubChem CID107077780
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
SMILESCOC1(CNCc2nnc3n2CCCC3)CCOC1
InChIInChI=1S/C13H22N4O2/c1-18-13(5-7-19-10-13)9-14-8-12-16-15-11-4-2-3-6-17(11)12/h14H,2-10H2,1H3
InChIKeyYQZMCKUISNYYGJ-UHFFFAOYSA-N
XLogP0.51
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine (CID 107077780) is N-[(3-methoxyoxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine is COC1(CNCc2nnc3n2CCCC3)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine?
The InChIKey is YQZMCKUISNYYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-18-13(5-7-19-10-13)9-14-8-12-16-15-11-4-2-3-6-17(11)12/h14H,2-10H2,1H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine?
N-[(3-methoxyoxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine has a molecular weight of 266.34 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine is sourced from PubChem (CID 107077780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).