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

C11H18N4O — CID 115727105

IUPACN-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESc1nc2n(n1)CCCC2NC1CCCOC1
InChIInChI=1S/C11H18N4O/c1-4-10(11-12-8-13-15(11)5-1)14-9-3-2-6-16-7-9/h8-10,14H,1-7H2
InChIKeyZEMRGEZPLMAVIO-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.88
Rot. Bonds2

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

N-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 115727105) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound NameN-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID115727105
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESc1nc2n(n1)CCCC2NC1CCCOC1
InChIInChI=1S/C11H18N4O/c1-4-10(11-12-8-13-15(11)5-1)14-9-3-2-6-16-7-9/h8-10,14H,1-7H2
InChIKeyZEMRGEZPLMAVIO-UHFFFAOYSA-N
XLogP0.88
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of N-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 115727105) is N-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for N-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for N-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is c1nc2n(n1)CCCC2NC1CCCOC1.
What is the InChIKey of N-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is ZEMRGEZPLMAVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-4-10(11-12-8-13-15(11)5-1)14-9-3-2-6-16-7-9/h8-10,14H,1-7H2.
What are the key properties of N-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
N-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 222.29 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 115727105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).