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

C12H16N6 — CID 50961008

IUPAC3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCN1CCc2[nH]nc(-c3n[nH]c(C4CC4)n3)c2C1
InChIInChI=1S/C12H16N6/c1-18-5-4-9-8(6-18)10(15-14-9)12-13-11(16-17-12)7-2-3-7/h7H,2-6H2,1H3,(H,14,15)(H,13,16,17)
InChIKeyUBMOALZHRIZJIV-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.06
Rot. Bonds2

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

3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 50961008) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID50961008
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCN1CCc2[nH]nc(-c3n[nH]c(C4CC4)n3)c2C1
InChIInChI=1S/C12H16N6/c1-18-5-4-9-8(6-18)10(15-14-9)12-13-11(16-17-12)7-2-3-7/h7H,2-6H2,1H3,(H,14,15)(H,13,16,17)
InChIKeyUBMOALZHRIZJIV-UHFFFAOYSA-N
XLogP1.06
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 50961008) is 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CN1CCc2[nH]nc(-c3n[nH]c(C4CC4)n3)c2C1.
What is the InChIKey of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is UBMOALZHRIZJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-18-5-4-9-8(6-18)10(15-14-9)12-13-11(16-17-12)7-2-3-7/h7H,2-6H2,1H3,(H,14,15)(H,13,16,17).
What are the key properties of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 244.30 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 50961008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).