(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-pyridin-2-ylmethanone

C17H15N5O — CID 134793170

About (3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-pyridin-2-ylmethanone

(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-pyridin-2-ylmethanone (PubChem CID 134793170) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is (3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-pyridin-2-ylmethanone.

Molecular Properties

• Compound Name: (3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-pyridin-2-ylmethanone
• PubChem CID: 134793170
• Molecular Formula: C17H15N5O
• Molecular Weight: 305.34 g/mol
• Exact Mass: 305.13
• IUPAC Name: (3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-pyridin-2-ylmethanone
• SMILES: O=C(c1ccccn1)N1CCn2c(nnc2-c2ccccc2)C1
• InChI: InChI=1S/C17H15N5O/c23-17(14-8-4-5-9-18-14)21-10-11-22-15(12-21)19-20-16(22)13-6-2-1-3-7-13/h1-9H,10-12H2
• InChIKey: VLNOOWBCUWCSMD-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 63.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.34
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-pyridin-2-ylmethanone?

The IUPAC name of (3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-pyridin-2-ylmethanone (CID 134793170) is (3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-pyridin-2-ylmethanone.

What is the SMILES notation for (3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-pyridin-2-ylmethanone?

The canonical SMILES for (3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCn2c(nnc2-c2ccccc2)C1.

What is the InChIKey of (3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-pyridin-2-ylmethanone?

The InChIKey is VLNOOWBCUWCSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c23-17(14-8-4-5-9-18-14)21-10-11-22-15(12-21)19-20-16(22)13-6-2-1-3-7-13/h1-9H,10-12H2.

What are the key properties of (3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-pyridin-2-ylmethanone?

(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-pyridin-2-ylmethanone has a molecular weight of 305.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-pyridin-2-ylmethanone is sourced from PubChem (CID 134793170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).