(Z)-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one

C18H19N7O — CID 91818614

About (Z)-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one

(Z)-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one (PubChem CID 91818614) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is (Z)-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

• Compound Name: (Z)-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
• PubChem CID: 91818614
• Molecular Formula: C18H19N7O
• Molecular Weight: 349.40 g/mol
• Exact Mass: 349.17
• IUPAC Name: (Z)-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
• SMILES: Cc1nnc2c(N3CCN(C(=O)/C=C\c4cccnc4)CC3)nccn12
• InChI: InChI=1S/C18H19N7O/c1-14-21-22-18-17(20-7-8-25(14)18)24-11-9-23(10-12-24)16(26)5-4-15-3-2-6-19-13-15/h2-8,13H,9-12H2,1H3/b5-4-
• InChIKey: OTGHJWZGKJHLGQ-PLNGDYQASA-N
• XLogP: 1.19
• TPSA: 79.52 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.40
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one?

The IUPAC name of (Z)-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one (CID 91818614) is (Z)-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one.

What is the SMILES notation for (Z)-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one?

The canonical SMILES for (Z)-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one is Cc1nnc2c(N3CCN(C(=O)/C=C\c4cccnc4)CC3)nccn12.

What is the InChIKey of (Z)-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one?

The InChIKey is OTGHJWZGKJHLGQ-PLNGDYQASA-N. The full InChI is InChI=1S/C18H19N7O/c1-14-21-22-18-17(20-7-8-25(14)18)24-11-9-23(10-12-24)16(26)5-4-15-3-2-6-19-13-15/h2-8,13H,9-12H2,1H3/b5-4-.

What are the key properties of (Z)-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one?

(Z)-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one has a molecular weight of 349.40 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 91818614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).