3-(1,3-diethylpyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C13H16N6 — CID 66121034

IUPAC3-(1,3-diethylpyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCCc1cc(-c2nnc3ccc(N)cn23)n(CC)n1
InChIInChI=1S/C13H16N6/c1-3-10-7-11(19(4-2)17-10)13-16-15-12-6-5-9(14)8-18(12)13/h5-8H,3-4,14H2,1-2H3
InChIKeyWBTTWVDEXAUCAI-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.76
Rot. Bonds3

About 3-(1,3-diethylpyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

3-(1,3-diethylpyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 66121034) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-(1,3-diethylpyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-(1,3-diethylpyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID66121034
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name3-(1,3-diethylpyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCCc1cc(-c2nnc3ccc(N)cn23)n(CC)n1
InChIInChI=1S/C13H16N6/c1-3-10-7-11(19(4-2)17-10)13-16-15-12-6-5-9(14)8-18(12)13/h5-8H,3-4,14H2,1-2H3
InChIKeyWBTTWVDEXAUCAI-UHFFFAOYSA-N
XLogP1.76
TPSA74.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-diethylpyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-(1,3-diethylpyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 66121034) is 3-(1,3-diethylpyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-(1,3-diethylpyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-(1,3-diethylpyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is CCc1cc(-c2nnc3ccc(N)cn23)n(CC)n1.
What is the InChIKey of 3-(1,3-diethylpyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is WBTTWVDEXAUCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-3-10-7-11(19(4-2)17-10)13-16-15-12-6-5-9(14)8-18(12)13/h5-8H,3-4,14H2,1-2H3.
What are the key properties of 3-(1,3-diethylpyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-(1,3-diethylpyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 256.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-diethylpyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 66121034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).