7-[[3-(1,2,4-triazol-1-yl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

C14H14N8O — CID 126678876

IUPAC7-[[3-(1,2,4-triazol-1-yl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cccc(-n3cncn3)c2)c2c(n1)NNN2
InChIInChI=1S/C14H14N8O/c15-12-5-11(13-14(18-12)20-21-19-13)23-6-9-2-1-3-10(4-9)22-8-16-7-17-22/h1-5,7-8,19,21H,6H2,(H3,15,18,20)
InChIKeyVPSPDHPMNYNCGX-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.08
Rot. Bonds4

About 7-[[3-(1,2,4-triazol-1-yl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

7-[[3-(1,2,4-triazol-1-yl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126678876) has the molecular formula C14H14N8O and a molecular weight of 310.32 g/mol. Its IUPAC name is 7-[[3-(1,2,4-triazol-1-yl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[3-(1,2,4-triazol-1-yl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126678876
Molecular FormulaC14H14N8O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name7-[[3-(1,2,4-triazol-1-yl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cccc(-n3cncn3)c2)c2c(n1)NNN2
InChIInChI=1S/C14H14N8O/c15-12-5-11(13-14(18-12)20-21-19-13)23-6-9-2-1-3-10(4-9)22-8-16-7-17-22/h1-5,7-8,19,21H,6H2,(H3,15,18,20)
InChIKeyVPSPDHPMNYNCGX-UHFFFAOYSA-N
XLogP1.08
TPSA114.94 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-(1,2,4-triazol-1-yl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[3-(1,2,4-triazol-1-yl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine (CID 126678876) is 7-[[3-(1,2,4-triazol-1-yl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[3-(1,2,4-triazol-1-yl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[3-(1,2,4-triazol-1-yl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(OCc2cccc(-n3cncn3)c2)c2c(n1)NNN2.
What is the InChIKey of 7-[[3-(1,2,4-triazol-1-yl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is VPSPDHPMNYNCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N8O/c15-12-5-11(13-14(18-12)20-21-19-13)23-6-9-2-1-3-10(4-9)22-8-16-7-17-22/h1-5,7-8,19,21H,6H2,(H3,15,18,20).
What are the key properties of 7-[[3-(1,2,4-triazol-1-yl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
7-[[3-(1,2,4-triazol-1-yl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 310.32 g/mol, XLogP of 1.08, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(1,2,4-triazol-1-yl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126678876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).