[(1S,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone

C16H16F2N4O2 — CID 164636976

IUPAC[(1S,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone
SMILESO=C([C@H]1C[C@@H]1c1ccc(OC(F)F)cc1)N1CCn2ncnc2C1
InChIInChI=1S/C16H16F2N4O2/c17-16(18)24-11-3-1-10(2-4-11)12-7-13(12)15(23)21-5-6-22-14(8-21)19-9-20-22/h1-4,9,12-13,16H,5-8H2/t12-,13+/m1/s1
InChIKeyDHEZNKKTINPSQG-OLZOCXBDSA-N
MW334.33 g/mol
LogP2.03
Rot. Bonds4

About [(1S,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone

[(1S,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone (PubChem CID 164636976) has the molecular formula C16H16F2N4O2 and a molecular weight of 334.33 g/mol. Its IUPAC name is [(1S,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name[(1S,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone
PubChem CID164636976
Molecular FormulaC16H16F2N4O2
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Name[(1S,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone
SMILESO=C([C@H]1C[C@@H]1c1ccc(OC(F)F)cc1)N1CCn2ncnc2C1
InChIInChI=1S/C16H16F2N4O2/c17-16(18)24-11-3-1-10(2-4-11)12-7-13(12)15(23)21-5-6-22-14(8-21)19-9-20-22/h1-4,9,12-13,16H,5-8H2/t12-,13+/m1/s1
InChIKeyDHEZNKKTINPSQG-OLZOCXBDSA-N
XLogP2.03
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1S,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone?
The IUPAC name of [(1S,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone (CID 164636976) is [(1S,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone.
What is the SMILES notation for [(1S,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone?
The canonical SMILES for [(1S,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone is O=C([C@H]1C[C@@H]1c1ccc(OC(F)F)cc1)N1CCn2ncnc2C1.
What is the InChIKey of [(1S,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone?
The InChIKey is DHEZNKKTINPSQG-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H16F2N4O2/c17-16(18)24-11-3-1-10(2-4-11)12-7-13(12)15(23)21-5-6-22-14(8-21)19-9-20-22/h1-4,9,12-13,16H,5-8H2/t12-,13+/m1/s1.
What are the key properties of [(1S,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone?
[(1S,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone has a molecular weight of 334.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 164636976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).