[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone

C17H19N7O — CID 72869064

About [3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone

[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 72869064) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is [3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

• Compound Name: [3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
• PubChem CID: 72869064
• Molecular Formula: C17H19N7O
• Molecular Weight: 337.39 g/mol
• Exact Mass: 337.17
• IUPAC Name: [3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
• SMILES: O=C(c1ncn[nH]1)N1CCCC(c2nccn2Cc2ccncc2)C1
• InChI: InChI=1S/C17H19N7O/c25-17(15-20-12-21-22-15)24-8-1-2-14(11-24)16-19-7-9-23(16)10-13-3-5-18-6-4-13/h3-7,9,12,14H,1-2,8,10-11H2,(H,20,21,22)
• InChIKey: GUBHTWVLIYKGNO-UHFFFAOYSA-N
• XLogP: 1.46
• TPSA: 92.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.39
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?

The IUPAC name of [3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone (CID 72869064) is [3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone.

What is the SMILES notation for [3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?

The canonical SMILES for [3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone is O=C(c1ncn[nH]1)N1CCCC(c2nccn2Cc2ccncc2)C1.

What is the InChIKey of [3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?

The InChIKey is GUBHTWVLIYKGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c25-17(15-20-12-21-22-15)24-8-1-2-14(11-24)16-19-7-9-23(16)10-13-3-5-18-6-4-13/h3-7,9,12,14H,1-2,8,10-11H2,(H,20,21,22).

What are the key properties of [3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?

[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 337.39 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 72869064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).