1,1-dimethyl-3-[2-oxo-2-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethyl]urea

C19H26N6O2 — CID 164691265

About 1,1-dimethyl-3-[2-oxo-2-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethyl]urea

1,1-dimethyl-3-[2-oxo-2-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethyl]urea (PubChem CID 164691265) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-oxo-2-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethyl]urea.

Molecular Properties

• Compound Name: 1,1-dimethyl-3-[2-oxo-2-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethyl]urea
• PubChem CID: 164691265
• Molecular Formula: C19H26N6O2
• Molecular Weight: 370.46 g/mol
• Exact Mass: 370.21
• IUPAC Name: 1,1-dimethyl-3-[2-oxo-2-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethyl]urea
• SMILES: CC(C)[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)CNC(=O)N(C)C
• InChI: InChI=1S/C19H26N6O2/c1-13(2)16-18-21-17(14-8-6-5-7-9-14)22-25(18)11-10-24(16)15(26)12-20-19(27)23(3)4/h5-9,13,16H,10-12H2,1-4H3,(H,20,27)/t16-/m0/s1
• InChIKey: RERPYEFTSMUXQE-INIZCTEOSA-N
• XLogP: 1.76
• TPSA: 83.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.46
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-oxo-2-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethyl]urea?

The IUPAC name of 1,1-dimethyl-3-[2-oxo-2-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethyl]urea (CID 164691265) is 1,1-dimethyl-3-[2-oxo-2-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethyl]urea.

What is the SMILES notation for 1,1-dimethyl-3-[2-oxo-2-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethyl]urea?

The canonical SMILES for 1,1-dimethyl-3-[2-oxo-2-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethyl]urea is CC(C)[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)CNC(=O)N(C)C.

What is the InChIKey of 1,1-dimethyl-3-[2-oxo-2-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethyl]urea?

The InChIKey is RERPYEFTSMUXQE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-13(2)16-18-21-17(14-8-6-5-7-9-14)22-25(18)11-10-24(16)15(26)12-20-19(27)23(3)4/h5-9,13,16H,10-12H2,1-4H3,(H,20,27)/t16-/m0/s1.

What are the key properties of 1,1-dimethyl-3-[2-oxo-2-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethyl]urea?

1,1-dimethyl-3-[2-oxo-2-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethyl]urea has a molecular weight of 370.46 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-dimethyl-3-[2-oxo-2-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethyl]urea is sourced from PubChem (CID 164691265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).