3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol

C13H19N5O — CID 117139960

IUPAC3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
SMILESCN1CCN(CCc2nnc3ccc(O)cn23)CC1
InChIInChI=1S/C13H19N5O/c1-16-6-8-17(9-7-16)5-4-13-15-14-12-3-2-11(19)10-18(12)13/h2-3,10,19H,4-9H2,1H3
InChIKeySXHYISJNOKBRKE-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.22
Rot. Bonds3

About 3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol

3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol (PubChem CID 117139960) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol.

Molecular Properties

Compound Name3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
PubChem CID117139960
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
SMILESCN1CCN(CCc2nnc3ccc(O)cn23)CC1
InChIInChI=1S/C13H19N5O/c1-16-6-8-17(9-7-16)5-4-13-15-14-12-3-2-11(19)10-18(12)13/h2-3,10,19H,4-9H2,1H3
InChIKeySXHYISJNOKBRKE-UHFFFAOYSA-N
XLogP0.22
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The IUPAC name of 3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol (CID 117139960) is 3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol.
What is the SMILES notation for 3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The canonical SMILES for 3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol is CN1CCN(CCc2nnc3ccc(O)cn23)CC1.
What is the InChIKey of 3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The InChIKey is SXHYISJNOKBRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-16-6-8-17(9-7-16)5-4-13-15-14-12-3-2-11(19)10-18(12)13/h2-3,10,19H,4-9H2,1H3.
What are the key properties of 3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol has a molecular weight of 261.33 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol is sourced from PubChem (CID 117139960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).