5-[1-(1-phenyltriazol-4-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

C16H18N6 — CID 136520301

IUPAC5-[1-(1-phenyltriazol-4-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCC(c1cn(-c2ccccc2)nn1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C16H18N6/c1-12(21-8-7-15-13(10-21)9-17-18-15)16-11-22(20-19-16)14-5-3-2-4-6-14/h2-6,9,11-12H,7-8,10H2,1H3,(H,17,18)
InChIKeySJGRMRLPMXLPBB-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.11
Rot. Bonds3

About 5-[1-(1-phenyltriazol-4-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

5-[1-(1-phenyltriazol-4-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 136520301) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-[1-(1-phenyltriazol-4-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[1-(1-phenyltriazol-4-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID136520301
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name5-[1-(1-phenyltriazol-4-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCC(c1cn(-c2ccccc2)nn1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C16H18N6/c1-12(21-8-7-15-13(10-21)9-17-18-15)16-11-22(20-19-16)14-5-3-2-4-6-14/h2-6,9,11-12H,7-8,10H2,1H3,(H,17,18)
InChIKeySJGRMRLPMXLPBB-UHFFFAOYSA-N
XLogP2.11
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-phenyltriazol-4-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 5-[1-(1-phenyltriazol-4-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 136520301) is 5-[1-(1-phenyltriazol-4-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 5-[1-(1-phenyltriazol-4-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 5-[1-(1-phenyltriazol-4-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is CC(c1cn(-c2ccccc2)nn1)N1CCc2[nH]ncc2C1.
What is the InChIKey of 5-[1-(1-phenyltriazol-4-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is SJGRMRLPMXLPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-12(21-8-7-15-13(10-21)9-17-18-15)16-11-22(20-19-16)14-5-3-2-4-6-14/h2-6,9,11-12H,7-8,10H2,1H3,(H,17,18).
What are the key properties of 5-[1-(1-phenyltriazol-4-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
5-[1-(1-phenyltriazol-4-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 294.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-phenyltriazol-4-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 136520301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).