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

C17H27N7 — CID 135208452

IUPAC5-[2-[5-methyl-4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCc1nnc(CCN2CCc3[nH]ncc3C2)n1C1CCN(C)CC1
InChIInChI=1S/C17H27N7/c1-13-19-21-17(24(13)15-3-7-22(2)8-4-15)6-10-23-9-5-16-14(12-23)11-18-20-16/h11,15H,3-10,12H2,1-2H3,(H,18,20)
InChIKeyOVZXPSIVMUKIQR-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.18
Rot. Bonds4

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

5-[2-[5-methyl-4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 135208452) has the molecular formula C17H27N7 and a molecular weight of 329.45 g/mol. Its IUPAC name is 5-[2-[5-methyl-4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[2-[5-methyl-4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID135208452
Molecular FormulaC17H27N7
Molecular Weight329.45 g/mol
Exact Mass329.23
IUPAC Name5-[2-[5-methyl-4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCc1nnc(CCN2CCc3[nH]ncc3C2)n1C1CCN(C)CC1
InChIInChI=1S/C17H27N7/c1-13-19-21-17(24(13)15-3-7-22(2)8-4-15)6-10-23-9-5-16-14(12-23)11-18-20-16/h11,15H,3-10,12H2,1-2H3,(H,18,20)
InChIKeyOVZXPSIVMUKIQR-UHFFFAOYSA-N
XLogP1.18
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-methyl-4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 5-[2-[5-methyl-4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 135208452) is 5-[2-[5-methyl-4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 5-[2-[5-methyl-4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 5-[2-[5-methyl-4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is Cc1nnc(CCN2CCc3[nH]ncc3C2)n1C1CCN(C)CC1.
What is the InChIKey of 5-[2-[5-methyl-4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is OVZXPSIVMUKIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7/c1-13-19-21-17(24(13)15-3-7-22(2)8-4-15)6-10-23-9-5-16-14(12-23)11-18-20-16/h11,15H,3-10,12H2,1-2H3,(H,18,20).
What are the key properties of 5-[2-[5-methyl-4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
5-[2-[5-methyl-4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 329.45 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-methyl-4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 135208452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).