2-[3-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol

C15H24N6O — CID 126429690

About 2-[3-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol

2-[3-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol (PubChem CID 126429690) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-[3-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[3-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
• PubChem CID: 126429690
• Molecular Formula: C15H24N6O
• Molecular Weight: 304.40 g/mol
• Exact Mass: 304.20
• IUPAC Name: 2-[3-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
• SMILES: CCc1n[nH]c(CN2CCC[C@H](c3ccn(CCO)n3)C2)n1
• InChI: InChI=1S/C15H24N6O/c1-2-14-16-15(18-17-14)11-20-6-3-4-12(10-20)13-5-7-21(19-13)8-9-22/h5,7,12,22H,2-4,6,8-11H2,1H3,(H,16,17,18)/t12-/m0/s1
• InChIKey: XALNJRYUDCZTCH-LBPRGKRZSA-N
• XLogP: 0.94
• TPSA: 82.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.40
LogP ≤ 5	0.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol?

The IUPAC name of 2-[3-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol (CID 126429690) is 2-[3-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol.

What is the SMILES notation for 2-[3-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol?

The canonical SMILES for 2-[3-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol is CCc1n[nH]c(CN2CCC[C@H](c3ccn(CCO)n3)C2)n1.

What is the InChIKey of 2-[3-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol?

The InChIKey is XALNJRYUDCZTCH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N6O/c1-2-14-16-15(18-17-14)11-20-6-3-4-12(10-20)13-5-7-21(19-13)8-9-22/h5,7,12,22H,2-4,6,8-11H2,1H3,(H,16,17,18)/t12-/m0/s1.

What are the key properties of 2-[3-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol?

2-[3-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol has a molecular weight of 304.40 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 126429690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).