1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]cyclopropane-1-carboxamide

C17H19N5O2 — CID 175644040

About 1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]cyclopropane-1-carboxamide

1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]cyclopropane-1-carboxamide (PubChem CID 175644040) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]cyclopropane-1-carboxamide
• PubChem CID: 175644040
• Molecular Formula: C17H19N5O2
• Molecular Weight: 325.37 g/mol
• Exact Mass: 325.15
• IUPAC Name: 1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]cyclopropane-1-carboxamide
• SMILES: C[C@H]1CN(C(=O)C2(C(N)=O)CC2)Cc2nnc(-c3ccccc3)n21
• InChI: InChI=1S/C17H19N5O2/c1-11-9-21(16(24)17(7-8-17)15(18)23)10-13-19-20-14(22(11)13)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,18,23)/t11-/m0/s1
• InChIKey: MUVCAYGECCDSGB-NSHDSACASA-N
• XLogP: 1.11
• TPSA: 94.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.37
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]cyclopropane-1-carboxamide?

The IUPAC name of 1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]cyclopropane-1-carboxamide (CID 175644040) is 1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]cyclopropane-1-carboxamide is C[C@H]1CN(C(=O)C2(C(N)=O)CC2)Cc2nnc(-c3ccccc3)n21.

What is the InChIKey of 1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]cyclopropane-1-carboxamide?

The InChIKey is MUVCAYGECCDSGB-NSHDSACASA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-9-21(16(24)17(7-8-17)15(18)23)10-13-19-20-14(22(11)13)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,18,23)/t11-/m0/s1.

What are the key properties of 1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]cyclopropane-1-carboxamide?

1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 175644040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).