4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine

C11H16N6 — CID 128905079

IUPAC4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
SMILESCCn1ncnc1CN1CCCc2[nH]ncc21
InChIInChI=1S/C11H16N6/c1-2-17-11(12-8-14-17)7-16-5-3-4-9-10(16)6-13-15-9/h6,8H,2-5,7H2,1H3,(H,13,15)
InChIKeyYKFJLQAVMKEBMG-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.97
Rot. Bonds3

About 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine

4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine (PubChem CID 128905079) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
PubChem CID128905079
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
SMILESCCn1ncnc1CN1CCCc2[nH]ncc21
InChIInChI=1S/C11H16N6/c1-2-17-11(12-8-14-17)7-16-5-3-4-9-10(16)6-13-15-9/h6,8H,2-5,7H2,1H3,(H,13,15)
InChIKeyYKFJLQAVMKEBMG-UHFFFAOYSA-N
XLogP0.97
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
The IUPAC name of 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine (CID 128905079) is 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine.
What is the SMILES notation for 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
The canonical SMILES for 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine is CCn1ncnc1CN1CCCc2[nH]ncc21.
What is the InChIKey of 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
The InChIKey is YKFJLQAVMKEBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-2-17-11(12-8-14-17)7-16-5-3-4-9-10(16)6-13-15-9/h6,8H,2-5,7H2,1H3,(H,13,15).
What are the key properties of 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine has a molecular weight of 232.29 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine is sourced from PubChem (CID 128905079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).