trans-(1R,2R)-2-(2,6-difluorophenyl)-N'-(3-methoxypyrazin-2-yl)cyclopropane-1-carbohydrazide

C15H14F2N4O2 — CID 99632159

IUPACtrans-(1R,2R)-2-(2,6-difluorophenyl)-N'-(3-methoxypyrazin-2-yl)cyclopropane-1-carbohydrazide
SMILESCOc1nccnc1NNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F
InChIInChI=1S/C15H14F2N4O2/c1-23-15-13(18-5-6-19-15)20-21-14(22)9-7-8(9)12-10(16)3-2-4-11(12)17/h2-6,8-9H,7H2,1H3,(H,18,20)(H,21,22)/t8-,9-/m1/s1
InChIKeyYSTQBHVNJHGMOZ-RKDXNWHRSA-N
MW320.30 g/mol
LogP2.01
Rot. Bonds5

About trans-(1R,2R)-2-(2,6-difluorophenyl)-N'-(3-methoxypyrazin-2-yl)cyclopropane-1-carbohydrazide

trans-(1R,2R)-2-(2,6-difluorophenyl)-N'-(3-methoxypyrazin-2-yl)cyclopropane-1-carbohydrazide (PubChem CID 99632159) has the molecular formula C15H14F2N4O2 and a molecular weight of 320.30 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2,6-difluorophenyl)-N'-(3-methoxypyrazin-2-yl)cyclopropane-1-carbohydrazide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2,6-difluorophenyl)-N'-(3-methoxypyrazin-2-yl)cyclopropane-1-carbohydrazide
PubChem CID99632159
Molecular FormulaC15H14F2N4O2
Molecular Weight320.30 g/mol
Exact Mass320.11
IUPAC Nametrans-(1R,2R)-2-(2,6-difluorophenyl)-N'-(3-methoxypyrazin-2-yl)cyclopropane-1-carbohydrazide
SMILESCOc1nccnc1NNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F
InChIInChI=1S/C15H14F2N4O2/c1-23-15-13(18-5-6-19-15)20-21-14(22)9-7-8(9)12-10(16)3-2-4-11(12)17/h2-6,8-9H,7H2,1H3,(H,18,20)(H,21,22)/t8-,9-/m1/s1
InChIKeyYSTQBHVNJHGMOZ-RKDXNWHRSA-N
XLogP2.01
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2,6-difluorophenyl)-N'-(3-methoxypyrazin-2-yl)cyclopropane-1-carbohydrazide?
The IUPAC name of trans-(1R,2R)-2-(2,6-difluorophenyl)-N'-(3-methoxypyrazin-2-yl)cyclopropane-1-carbohydrazide (CID 99632159) is trans-(1R,2R)-2-(2,6-difluorophenyl)-N'-(3-methoxypyrazin-2-yl)cyclopropane-1-carbohydrazide.
What is the SMILES notation for trans-(1R,2R)-2-(2,6-difluorophenyl)-N'-(3-methoxypyrazin-2-yl)cyclopropane-1-carbohydrazide?
The canonical SMILES for trans-(1R,2R)-2-(2,6-difluorophenyl)-N'-(3-methoxypyrazin-2-yl)cyclopropane-1-carbohydrazide is COc1nccnc1NNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F.
What is the InChIKey of trans-(1R,2R)-2-(2,6-difluorophenyl)-N'-(3-methoxypyrazin-2-yl)cyclopropane-1-carbohydrazide?
The InChIKey is YSTQBHVNJHGMOZ-RKDXNWHRSA-N. The full InChI is InChI=1S/C15H14F2N4O2/c1-23-15-13(18-5-6-19-15)20-21-14(22)9-7-8(9)12-10(16)3-2-4-11(12)17/h2-6,8-9H,7H2,1H3,(H,18,20)(H,21,22)/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2,6-difluorophenyl)-N'-(3-methoxypyrazin-2-yl)cyclopropane-1-carbohydrazide?
trans-(1R,2R)-2-(2,6-difluorophenyl)-N'-(3-methoxypyrazin-2-yl)cyclopropane-1-carbohydrazide has a molecular weight of 320.30 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2,6-difluorophenyl)-N'-(3-methoxypyrazin-2-yl)cyclopropane-1-carbohydrazide is sourced from PubChem (CID 99632159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).