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

C11H16N6 — CID 86820492

IUPAC3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCn1cnnc1-c1nn(C)c2c1CNCC2
InChIInChI=1S/C11H16N6/c1-3-17-7-13-14-11(17)10-8-6-12-5-4-9(8)16(2)15-10/h7,12H,3-6H2,1-2H3
InChIKeyFVCPWRYVPYMCDC-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.34
Rot. Bonds2

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

3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 86820492) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID86820492
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCn1cnnc1-c1nn(C)c2c1CNCC2
InChIInChI=1S/C11H16N6/c1-3-17-7-13-14-11(17)10-8-6-12-5-4-9(8)16(2)15-10/h7,12H,3-6H2,1-2H3
InChIKeyFVCPWRYVPYMCDC-UHFFFAOYSA-N
XLogP0.34
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 86820492) is 3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCn1cnnc1-c1nn(C)c2c1CNCC2.
What is the InChIKey of 3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is FVCPWRYVPYMCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-3-17-7-13-14-11(17)10-8-6-12-5-4-9(8)16(2)15-10/h7,12H,3-6H2,1-2H3.
What are the key properties of 3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 232.29 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 86820492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).