4-[2-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)ethyl]phenol

C14H14N4O — CID 90671747

IUPAC4-[2-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)ethyl]phenol
SMILESOc1ccc(CCNc2cccn3ncnc23)cc1
InChIInChI=1S/C14H14N4O/c19-12-5-3-11(4-6-12)7-8-15-13-2-1-9-18-14(13)16-10-17-18/h1-6,9-10,15,19H,7-8H2
InChIKeyMANIBDPCKAMPJZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.09
Rot. Bonds4

About 4-[2-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)ethyl]phenol

4-[2-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)ethyl]phenol (PubChem CID 90671747) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-[2-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[2-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)ethyl]phenol
PubChem CID90671747
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-[2-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)ethyl]phenol
SMILESOc1ccc(CCNc2cccn3ncnc23)cc1
InChIInChI=1S/C14H14N4O/c19-12-5-3-11(4-6-12)7-8-15-13-2-1-9-18-14(13)16-10-17-18/h1-6,9-10,15,19H,7-8H2
InChIKeyMANIBDPCKAMPJZ-UHFFFAOYSA-N
XLogP2.09
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)ethyl]phenol?
The IUPAC name of 4-[2-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)ethyl]phenol (CID 90671747) is 4-[2-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)ethyl]phenol.
What is the SMILES notation for 4-[2-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)ethyl]phenol?
The canonical SMILES for 4-[2-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)ethyl]phenol is Oc1ccc(CCNc2cccn3ncnc23)cc1.
What is the InChIKey of 4-[2-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)ethyl]phenol?
The InChIKey is MANIBDPCKAMPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c19-12-5-3-11(4-6-12)7-8-15-13-2-1-9-18-14(13)16-10-17-18/h1-6,9-10,15,19H,7-8H2.
What are the key properties of 4-[2-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)ethyl]phenol?
4-[2-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)ethyl]phenol has a molecular weight of 254.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-([1,2,4]triazolo[1,5-a]pyridin-8-ylamino)ethyl]phenol is sourced from PubChem (CID 90671747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).