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

C14H18N4O — CID 116532725

IUPAC3-(2-phenoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESNC1CCc2nnc(CCOc3ccccc3)n2C1
InChIInChI=1S/C14H18N4O/c15-11-6-7-13-16-17-14(18(13)10-11)8-9-19-12-4-2-1-3-5-12/h1-5,11H,6-10,15H2
InChIKeyPVYDEZCCEBVTMK-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.17
Rot. Bonds4

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

3-(2-phenoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 116532725) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(2-phenoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-(2-phenoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID116532725
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-(2-phenoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESNC1CCc2nnc(CCOc3ccccc3)n2C1
InChIInChI=1S/C14H18N4O/c15-11-6-7-13-16-17-14(18(13)10-11)8-9-19-12-4-2-1-3-5-12/h1-5,11H,6-10,15H2
InChIKeyPVYDEZCCEBVTMK-UHFFFAOYSA-N
XLogP1.17
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-(2-phenoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 116532725) is 3-(2-phenoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-(2-phenoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-(2-phenoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is NC1CCc2nnc(CCOc3ccccc3)n2C1.
What is the InChIKey of 3-(2-phenoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is PVYDEZCCEBVTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-11-6-7-13-16-17-14(18(13)10-11)8-9-19-12-4-2-1-3-5-12/h1-5,11H,6-10,15H2.
What are the key properties of 3-(2-phenoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-(2-phenoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 258.32 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 116532725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).